In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 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) | 2.93 | 3.29 | -46.39 | 3 | 3 | 1 | 54 | 225.271 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.93 | 2.94 | -7.37 | 2 | 3 | 0 | 52 | 224.263 | 2 | ↓ |