In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2010 | 17 | Yes |
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) | 3.02 | 7.26 | -32.41 | 2 | 2 | 1 | 16 | 233.379 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.02 | 8.86 | -118.1 | 3 | 2 | 2 | 21 | 234.387 | 4 | ↓ |