In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 37 | 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) | 5.36 | 15.17 | -28.63 | 1 | 7 | 0 | 84 | 514.651 | 11 | ↓ |
Hi High (pH 8-9.5) | 5.54 | 14.09 | -58.56 | 0 | 7 | -1 | 91 | 513.643 | 11 | ↓ |