| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2010 | 17 | Yes |
Popular Name: (2R)-2-(1,4-diazepan-1-yl)-2-(3-methyl-2-thienyl)acetamide (2R)-2-(1,4-diazepan-1-yl)-2-(3-…
| 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) | 0.50 | 0.96 | -38.16 | 4 | 4 | 1 | 63 | 254.379 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.50 | -0.28 | -7.54 | 3 | 4 | 0 | 58 | 253.371 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.50 | 1.72 | -28.13 | 4 | 4 | 1 | 60 | 254.379 | 3 | ↓ |
