In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2009 | 37 | 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) | 2.84 | 7.25 | -63.02 | 5 | 9 | 1 | 125 | 508.643 | 14 | ↓ |
Hi High (pH 8-9.5) | 2.84 | 5.89 | -20.09 | 4 | 9 | 0 | 121 | 507.635 | 14 | ↓ |