| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 20 | No |
Popular Name: 2-methyl-N-[[2-(1,4-thiazepan-4-ylmethyl)phenyl]methyl]propan-1-amine 2-methyl-N-[[2-(1,4-thiazepan-4-…
| 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) | 3.03 | 10.7 | -111.81 | 3 | 2 | 2 | 21 | 294.508 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 9.46 | -42.34 | 2 | 2 | 1 | 20 | 293.5 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
