In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 18 | 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) | 3.94 | 8.67 | -43.61 | 1 | 3 | 0 | 54 | 243.306 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.94 | 8.37 | -51.15 | 0 | 3 | -1 | 53 | 242.298 | 2 | ↓ |