In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2010 | 28 | No |
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) | 0.59 | 8.25 | -75.11 | 1 | 9 | -1 | 127 | 405.408 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.59 | 9.06 | -120.76 | 0 | 9 | -2 | 130 | 404.4 | 7 | ↓ |