In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 13 | 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) | 1.16 | 2.36 | -39.5 | 4 | 2 | 1 | 48 | 180.271 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.16 | 2.14 | -5.36 | 3 | 2 | 0 | 46 | 179.263 | 2 | ↓ |