UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6-methyl-pyridazin-3-amine N-[(1S)-2-cyclopropyl-1-methyl-e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.91 5.94 -27.51 2 3 1 39 192.286 4 ↓
Mid Mid (pH 6-8) 1.91 5.82 -7.57 1 3 0 38 191.278 4 ↓
Mid Mid (pH 6-8) 1.91 6 -26.85 2 3 1 39 192.286 4 ↓

Analogs

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Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-6-methyl-pyridazin-3-amine N-[(1R)-2-cyclopropyl-1-methyl-e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.91 5.94 -27.52 2 3 1 39 192.286 4 ↓
Mid Mid (pH 6-8) 1.91 5.82 -7.53 1 3 0 38 191.278 4 ↓
Mid Mid (pH 6-8) 1.91 6 -26.84 2 3 1 39 192.286 4 ↓

Analogs

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Popular Name: 6-chloro-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]pyridazin-3-amine 6-chloro-N-[(1S)-2-cyclopropyl-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.88 5.63 -6.78 1 3 0 38 211.696 4 ↓

Analogs

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Popular Name: 6-chloro-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]pyridazin-3-amine 6-chloro-N-[(1R)-2-cyclopropyl-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.88 5.62 -6.75 1 3 0 38 211.696 4 ↓

Analogs

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Popular Name: N-[(1S)-2-cyclopropyl-1-methyl-ethyl]pyridazin-3-amine N-[(1S)-2-cyclopropyl-1-methyl-e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.66 5.22 -7.29 1 3 0 38 177.251 4 ↓
Mid Mid (pH 6-8) 1.66 5.39 -27.98 2 3 1 39 178.259 4 ↓
Mid Mid (pH 6-8) 1.66 5.39 -31.07 2 3 1 39 178.259 4 ↓

Analogs

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Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]pyridazin-3-amine N-[(1R)-2-cyclopropyl-1-methyl-e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.66 5.22 -7.3 1 3 0 38 177.251 4 ↓
Mid Mid (pH 6-8) 1.66 5.39 -27.98 2 3 1 39 178.259 4 ↓
Mid Mid (pH 6-8) 1.66 5.39 -31.08 2 3 1 39 178.259 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(cyclopropylmethyl)propyl]-6-methyl-pyridazin-3-amine N-[(1S)-1-(cyclopropylmethyl)pro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 6.09 -27.41 2 3 1 39 206.313 5 ↓
Mid Mid (pH 6-8) 2.44 5.98 -7.64 1 3 0 38 205.305 5 ↓
Mid Mid (pH 6-8) 2.44 6.14 -26.7 2 3 1 39 206.313 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(cyclopropylmethyl)propyl]-6-methyl-pyridazin-3-amine N-[(1R)-1-(cyclopropylmethyl)pro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 6.61 -27.58 2 3 1 39 206.313 5 ↓
Mid Mid (pH 6-8) 2.44 6.05 -7.56 1 3 0 38 205.305 5 ↓
Mid Mid (pH 6-8) 2.44 6.22 -26.78 2 3 1 39 206.313 5 ↓

Analogs

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Popular Name: 6-chloro-N-[(1S)-1-(cyclopropylmethyl)propyl]pyridazin-3-amine 6-chloro-N-[(1S)-1-(cyclopropylm…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.41 5.77 -6.89 1 3 0 38 225.723 5 ↓

Analogs

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Popular Name: 6-chloro-N-[(1R)-1-(cyclopropylmethyl)propyl]pyridazin-3-amine 6-chloro-N-[(1R)-1-(cyclopropylm…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.41 6.3 -6.73 1 3 0 38 225.723 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(cyclopropylmethyl)propyl]pyridazin-3-amine N-[(1S)-1-(cyclopropylmethyl)pro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 5.36 -7.34 1 3 0 38 191.278 5 ↓
Mid Mid (pH 6-8) 2.20 5.54 -27.87 2 3 1 39 192.286 5 ↓
Mid Mid (pH 6-8) 2.20 5.54 -30.99 2 3 1 39 192.286 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(cyclopropylmethyl)propyl]pyridazin-3-amine N-[(1R)-1-(cyclopropylmethyl)pro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 5.89 -7.24 1 3 0 38 191.278 5 ↓
Mid Mid (pH 6-8) 2.20 5.62 -28.04 2 3 1 39 192.286 5 ↓
Mid Mid (pH 6-8) 2.20 6.06 -31.2 2 3 1 39 192.286 5 ↓

Analogs

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Popular Name: 6-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]pyridazine-3-carboxylic 6-[[(1S)-2-cyclopropyl-1-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.50 5.87 -25.58 2 5 0 79 221.26 5 ↓
Mid Mid (pH 6-8) 1.50 5.74 -51.34 1 5 -1 78 220.252 5 ↓

Analogs

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Popular Name: 6-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]pyridazine-3-carboxylic 6-[[(1R)-2-cyclopropyl-1-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.50 5.94 -25.37 2 5 0 79 221.26 5 ↓
Mid Mid (pH 6-8) 1.50 5.81 -51.28 1 5 -1 78 220.252 5 ↓

Analogs

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Popular Name: 6-chloro-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4,5-dimethyl-pyridazin-3-amine 6-chloro-N-[(1S)-2-cyclopropyl-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.63 7.16 -7.39 1 3 0 38 239.75 4 ↓

Analogs

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Popular Name: 6-chloro-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-4,5-dimethyl-pyridazin-3-amine 6-chloro-N-[(1R)-2-cyclopropyl-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.63 7.25 -7.47 1 3 0 38 239.75 4 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 5.8 -8.3 1 5 0 64 235.287 6 ↓
Lo Low (pH 4.5-6) 1.76 5.97 -28.09 2 5 1 65 236.295 6 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 5.87 -8.19 1 5 0 64 235.287 6 ↓
Lo Low (pH 4.5-6) 1.76 6.04 -28.05 2 5 1 65 236.295 6 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 5.95 -8.41 1 5 0 64 249.314 7 ↓
Lo Low (pH 4.5-6) 2.29 6.11 -27.72 2 5 1 65 250.322 7 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 6.38 -8.29 1 5 0 64 249.314 7 ↓
Lo Low (pH 4.5-6) 2.29 6.55 -27.93 2 5 1 65 250.322 7 ↓

Analogs

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Popular Name: 3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-5,6-dimethyl-pyridazine-4-carbonitrile 3-[[(1S)-2-cyclopropyl-1-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.36 6.91 -5.85 1 4 0 62 230.315 4 ↓
Lo Low (pH 4.5-6) 2.36 7.03 -31.73 2 4 1 63 231.323 4 ↓

Analogs

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Popular Name: 3-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]-5,6-dimethyl-pyridazine-4-carbonitrile 3-[[(1R)-2-cyclopropyl-1-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.36 7.01 -6.02 1 4 0 62 230.315 4 ↓
Lo Low (pH 4.5-6) 2.36 7.12 -31.77 2 4 1 63 231.323 4 ↓

Analogs

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Popular Name: 3-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-5,6-dimethyl-pyridazine-4-carbonitrile 3-[[(1S)-1-(cyclopropylmethyl)pr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 7.47 -5.5 1 4 0 62 244.342 5 ↓
Lo Low (pH 4.5-6) 2.89 7.58 -31.86 2 4 1 63 245.35 5 ↓

Analogs

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Popular Name: 3-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-5,6-dimethyl-pyridazine-4-carbonitrile 3-[[(1R)-1-(cyclopropylmethyl)pr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 7.56 -5.69 1 4 0 62 244.342 5 ↓
Lo Low (pH 4.5-6) 2.89 7.67 -31.93 2 4 1 63 245.35 5 ↓

Analogs

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Popular Name: 3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-5,6-dimethyl-pyridazine-4-carbothioamide 3-[[(1S)-2-cyclopropyl-1-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.40 5.88 -35.57 4 4 1 65 265.406 5 ↓
Mid Mid (pH 6-8) 2.40 5.76 -12.05 3 4 0 64 264.398 5 ↓

Analogs

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Popular Name: 3-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]-5,6-dimethyl-pyridazine-4-carbothioamide 3-[[(1R)-2-cyclopropyl-1-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.40 5.97 -35.58 4 4 1 65 265.406 5 ↓
Mid Mid (pH 6-8) 2.40 5.86 -12.39 3 4 0 64 264.398 5 ↓

Analogs

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Popular Name: 3-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-5,6-dimethyl-pyridazine-4-carbothioamide 3-[[(1S)-1-(cyclopropylmethyl)pr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 6.34 -35.66 4 4 1 65 279.433 6 ↓
Mid Mid (pH 6-8) 2.94 6.23 -11.57 3 4 0 64 278.425 6 ↓

Analogs

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Popular Name: 3-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-5,6-dimethyl-pyridazine-4-carbothioamide 3-[[(1R)-1-(cyclopropylmethyl)pr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 6.42 -35.44 4 4 1 65 279.433 6 ↓
Mid Mid (pH 6-8) 2.94 6.31 -11.84 3 4 0 64 278.425 6 ↓

Analogs

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Popular Name: 6-[[(1S)-1-(cyclopropylmethyl)propyl]amino]pyridazine-3-carboxylic 6-[[(1S)-1-(cyclopropylmethyl)pr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 6.02 -25.23 2 5 0 79 235.287 6 ↓
Mid Mid (pH 6-8) 2.04 5.89 -52.2 1 5 -1 78 234.279 6 ↓

Analogs

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Popular Name: 6-[[(1R)-1-(cyclopropylmethyl)propyl]amino]pyridazine-3-carboxylic 6-[[(1R)-1-(cyclopropylmethyl)pr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 6.45 -25.23 2 5 0 79 235.287 6 ↓
Mid Mid (pH 6-8) 2.04 6.32 -52 1 5 -1 78 234.279 6 ↓

Analogs

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Popular Name: 6-chloro-N-[(1S)-1-(cyclopropylmethyl)propyl]-4,5-dimethyl-pyridazin-3-amine 6-chloro-N-[(1S)-1-(cyclopropylm…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.17 7.8 -7 1 3 0 38 253.777 5 ↓

Analogs

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Popular Name: 6-chloro-N-[(1R)-1-(cyclopropylmethyl)propyl]-4,5-dimethyl-pyridazin-3-amine 6-chloro-N-[(1R)-1-(cyclopropylm…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.17 7.79 -6.99 1 3 0 38 253.777 5 ↓

Analogs

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Popular Name: 3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-5,6-dimethyl-pyridazine-4-carboxylic 3-[[(1S)-2-cyclopropyl-1-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 7.45 -38.21 2 5 0 79 249.314 5 ↓
Mid Mid (pH 6-8) 2.17 7.34 -47.08 1 5 -1 78 248.306 5 ↓

Analogs

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Popular Name: 3-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]-5,6-dimethyl-pyridazine-4-carboxylic 3-[[(1R)-2-cyclopropyl-1-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 7.53 -38.14 2 5 0 79 249.314 5 ↓
Mid Mid (pH 6-8) 2.17 7.41 -47.42 1 5 -1 78 248.306 5 ↓

Analogs

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Popular Name: 3-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-5,6-dimethyl-pyridazine-4-carboxylic 3-[[(1S)-1-(cyclopropylmethyl)pr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.71 7.9 -38.53 2 5 0 79 263.341 6 ↓
Mid Mid (pH 6-8) 2.71 7.78 -47.22 1 5 -1 78 262.333 6 ↓

Analogs

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Popular Name: 3-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-5,6-dimethyl-pyridazine-4-carboxylic 3-[[(1R)-1-(cyclopropylmethyl)pr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.71 7.98 -38.39 2 5 0 79 263.341 6 ↓
Mid Mid (pH 6-8) 2.71 7.86 -47.6 1 5 -1 78 262.333 6 ↓

Parameters Provided:

ring.id = 387164
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 387164 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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