| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 19 | No |
Popular Name: [3-(1,4-thiazepan-4-ylmethyl)benzofuran-2-yl]methanamine [3-(1,4-thiazepan-4-ylmethyl)ben…
| 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) | 2.08 | 7.27 | -123.38 | 4 | 3 | 2 | 45 | 278.421 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 5.04 | -48.68 | 3 | 3 | 1 | 44 | 277.413 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
