| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 19 | No |
Popular Name: 5-(4-pyridinyl)-4-[2-(1-pyrrolidinyl)ethyl]-4H-1,2,4-triazol-3-yl hydrosulfide 5-(4-pyridinyl)-4-[2-(1-pyrrolid…
| 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) | 1.43 | 8.02 | -50.89 | 1 | 5 | 0 | 48 | 275.381 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 5.56 | -45.23 | 0 | 5 | -1 | 47 | 274.373 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.71 | 8.18 | -47.59 | 2 | 5 | 1 | 51 | 276.389 | 4 | ↓ |
