In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 21 | 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) | 3.70 | 9.34 | -41.32 | 2 | 3 | 1 | 34 | 330.279 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.70 | 7.18 | -7.86 | 1 | 3 | 0 | 32 | 329.271 | 5 | ↓ |