In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 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) | 2.21 | 8.86 | -37.22 | 1 | 4 | 0 | 58 | 234.299 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 8.01 | -49.01 | 0 | 4 | -1 | 56 | 233.291 | 5 | ↓ |