| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2008 | 20 | No |
Popular Name: 3-[(5-nitro-2-pyridyl)sulfanyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine 3-[(5-nitro-2-pyridyl)sulfanyl]-…
| 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) | 2.50 | 8.55 | -15.44 | 0 | 7 | 0 | 89 | 291.336 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 8.76 | -33.28 | 1 | 7 | 1 | 91 | 292.344 | 3 | ↓ |
