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Analogs

11536033
11536033

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Popular Name: (10S)-9-amino-7-methylsulfanyl-8-azaspiro[4.5]deca-6,8-diene-6,10-dicarbonitrile (10S)-9-amino-7-methylsulfanyl-8…

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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) 1.63 0.94 -15.89 2 4 0 86 246.339 1 ↓
Mid Mid (pH 6-8) 0.98 -0.65 -7.69 2 4 0 86 246.339 1 ↓

Analogs

11536032
11536032

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Popular Name: (10R)-9-amino-7-methylsulfanyl-8-azaspiro[4.5]deca-6,8-diene-6,10-dicarbonitrile (10R)-9-amino-7-methylsulfanyl-8…

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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) 1.63 0.89 -15.43 2 4 0 86 246.339 1 ↓

Analogs

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Popular Name: 2-[[(10S)-9-amino-6-cyano-10-(4-methylthiazol-2-yl)-8-azaspiro[4.5]deca-6,8-dien-7-yl]sulfanyl]aceta 2-[[(10S)-9-amino-6-cyano-10-(4-…

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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) 0.68 2.77 -18.7 4 6 0 118 361.496 4 ↓
Mid Mid (pH 6-8) 0.68 3.16 -54.68 5 6 1 120 362.504 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(10R)-9-amino-6-cyano-10-(4-methylthiazol-2-yl)-8-azaspiro[4.5]deca-6,8-dien-7-yl]sulfanyl]aceta 2-[[(10R)-9-amino-6-cyano-10-(4-…

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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) 0.68 2.83 -18.81 4 6 0 118 361.496 4 ↓
Mid Mid (pH 6-8) 0.68 3.24 -54.76 5 6 1 120 362.504 4 ↓