| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 27 | No |
Popular Name: 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole-3-thione 2-[(4-cyclopentylpiperazin-1-yl)…
| 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) | 2.55 | 14.38 | -41.96 | 1 | 5 | 1 | 30 | 384.573 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 12.16 | -12.13 | 0 | 5 | 0 | 29 | 383.565 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 14.52 | -34.93 | 1 | 5 | 1 | 30 | 384.573 | 5 | ↓ |
