In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 32 | 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) | 4.57 | 12.08 | -23.41 | 1 | 8 | 0 | 95 | 515.492 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.75 | 10.87 | -55.89 | 0 | 8 | -1 | 101 | 514.484 | 11 | ↓ |