In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 32 | No |
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) | 1.48 | 7.56 | -26.67 | 2 | 12 | 0 | 157 | 477.528 | 10 | ↓ |
Hi High (pH 8-9.5) | 1.66 | 6.33 | -46.95 | 1 | 12 | -1 | 163 | 476.52 | 10 | ↓ |