In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 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) | 3.15 | 7.57 | -51.06 | 0 | 3 | -1 | 53 | 228.271 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.15 | 7.95 | -47.42 | 1 | 3 | 0 | 54 | 229.279 | 2 | ↓ |