| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2008 | 23 | No |
Popular Name: 4-[3-(benzylamino)propyl]-5-(3-pyridyl)-1,2,4-triazole-3-thiol 4-[3-(benzylamino)propyl]-5-(3-p…
| 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) | 2.67 | 9.62 | -71.81 | 2 | 5 | 0 | 60 | 325.441 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 9.78 | -63.16 | 3 | 5 | 1 | 63 | 326.449 | 7 | ↓ |
