In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 11th, 2007 | 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) | 2.77 | 6.85 | -9.87 | 1 | 3 | 0 | 46 | 226.279 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.22 | 6.01 | -46.33 | 0 | 3 | -1 | 49 | 225.271 | 3 | ↓ |