In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 30 | 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) | 6.38 | 12.83 | -18.32 | 1 | 4 | 0 | 51 | 454.901 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.56 | 10.48 | -46.2 | 0 | 4 | -1 | 58 | 453.893 | 7 | ↓ |