In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 13 | Yes |
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) | 1.70 | 3.21 | -37.4 | 2 | 2 | 1 | 20 | 183.319 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.70 | 3.91 | -25.71 | 2 | 2 | 1 | 16 | 183.319 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.70 | 5.26 | -106.58 | 3 | 2 | 2 | 21 | 184.327 | 1 | ↓ |
Popular Name: (1R,2S)-2-(4-tert-butylpiperazin-1-yl)-N-propyl-cyclopentanamine (1R,2S)-2-(4-tert-butylpiperazin…
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) | 2.97 | 8.03 | -89.51 | 3 | 3 | 2 | 24 | 269.477 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.97 | 5.91 | -31.81 | 2 | 3 | 1 | 23 | 268.469 | 5 | ↓ |
Popular Name: (1S,2S)-2-(4-tert-butylpiperazin-1-yl)-N-propyl-cyclopentanamine (1S,2S)-2-(4-tert-butylpiperazin…
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) | 2.97 | 6.84 | -88.48 | 3 | 3 | 2 | 24 | 269.477 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.97 | 4.69 | -35.72 | 2 | 3 | 1 | 23 | 268.469 | 5 | ↓ |
Popular Name: (1R,2R)-2-(4-tert-butylpiperazin-1-yl)-N-propyl-cyclopentanamine (1R,2R)-2-(4-tert-butylpiperazin…
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) | 2.97 | 6.88 | -90.11 | 3 | 3 | 2 | 24 | 269.477 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.97 | 4.75 | -35.04 | 2 | 3 | 1 | 23 | 268.469 | 5 | ↓ |
Popular Name: (1S,2R)-2-(4-tert-butylpiperazin-1-yl)-N-propyl-cyclopentanamine (1S,2R)-2-(4-tert-butylpiperazin…
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) | 2.97 | 8.04 | -89.51 | 3 | 3 | 2 | 24 | 269.477 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.97 | 5.91 | -31.85 | 2 | 3 | 1 | 23 | 268.469 | 5 | ↓ |