In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 17 | 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) | -0.47 | 2.28 | -46.61 | 2 | 5 | -1 | 89 | 236.247 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.47 | 3.08 | -97.56 | 1 | 5 | -2 | 92 | 235.239 | 4 | ↓ |