In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2009 | 33 | 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) | 3.52 | 8.95 | -24.91 | 2 | 8 | 0 | 101 | 472.611 | 13 | ↓ |
Hi High (pH 8-9.5) | 3.34 | 7.87 | -53.39 | 1 | 8 | -1 | 107 | 471.603 | 13 | ↓ |