In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 34 | 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) | 4.41 | 9.98 | -25.96 | 1 | 8 | 0 | 94 | 478.574 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.60 | 8.9 | -53.86 | 0 | 8 | -1 | 100 | 477.566 | 7 | ↓ |