In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2008 | 24 | 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) | 0.65 | 0.81 | -16.03 | 5 | 8 | 0 | 128 | 345.44 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.65 | 2.02 | -55.67 | 4 | 8 | -1 | 131 | 344.432 | 9 | ↓ |