In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 38 | 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) | 6.17 | 8.16 | -62.8 | 3 | 10 | -1 | 163 | 523.514 | 8 | ↓ |
Hi High (pH 8-9.5) | 6.17 | 8.92 | -104.98 | 2 | 10 | -2 | 165 | 522.506 | 8 | ↓ |