In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 25 | Yes |
None
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) | 0.70 | 7.72 | -42.89 | 1 | 6 | 1 | 48 | 412.352 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.70 | 5.5 | -16.32 | 0 | 6 | 0 | 47 | 411.344 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.70 | 7.72 | -44.96 | 1 | 6 | 1 | 48 | 412.352 | 6 | ↓ |