| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 19 | Yes |
Popular Name: [4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methanamine [4-[(4-methyl-1,4-diazepan-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) | 0.60 | 3.11 | -99.55 | 4 | 5 | 2 | 69 | 285.413 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.60 | 0.95 | -57.01 | 3 | 5 | 1 | 68 | 284.405 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.60 | 0.56 | -9.22 | 2 | 5 | 0 | 67 | 283.397 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.60 | 2.71 | -44.47 | 3 | 5 | 1 | 68 | 284.405 | 3 | ↓ |
