| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2009 | 24 | Yes |
Popular Name: (1S)-1-[6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,5-a][1,4]benzodiazepin-1-yl]ethanamine (1S)-1-[6-(2-chlorophenyl)-4H-[1…
| 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) | 0.15 | 6.44 | -47.56 | 3 | 5 | 1 | 71 | 338.822 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.15 | 6.12 | -11.85 | 2 | 5 | 0 | 69 | 337.814 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.15 | 7.35 | -91.08 | 4 | 5 | 2 | 72 | 339.83 | 2 | ↓ |
