| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 18 | No |
Popular Name: N-[[2-(1,4-thiazepan-4-ylmethyl)phenyl]methyl]ethanamine N-[[2-(1,4-thiazepan-4-ylmethyl)…
| 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) | 2.29 | 9.26 | -109.52 | 3 | 2 | 2 | 21 | 266.454 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 7.83 | -33.26 | 2 | 2 | 1 | 16 | 265.446 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 8.01 | -41.69 | 2 | 2 | 1 | 20 | 265.446 | 5 | ↓ |
