| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 17 | No |
Popular Name: N-methyl-1-[3-(1,4-thiazepan-4-ylmethyl)phenyl]methanamine N-methyl-1-[3-(1,4-thiazepan-4-y…
| 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) | 1.93 | 8.52 | -95.44 | 3 | 2 | 2 | 21 | 252.427 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 7.08 | -35.32 | 2 | 2 | 1 | 16 | 251.419 | 4 | ↓ |
