In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 19 | 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) | -0.22 | 4.54 | -75.37 | 4 | 6 | -1 | 128 | 294.308 | 12 | ↓ |
Hi High (pH 8-9.5) | -0.22 | 5.33 | -179.73 | 2 | 6 | -3 | 129 | 292.292 | 12 | ↓ |