In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 15 | Yes |
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) | -0.75 | 3.98 | -33.83 | 3 | 5 | 0 | 88 | 214.265 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.75 | 3.77 | -40.93 | 2 | 5 | -1 | 86 | 213.257 | 4 | ↓ |