In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 17 | 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) | 2.33 | 5.06 | -8.02 | 1 | 3 | 0 | 46 | 231.295 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.52 | 2.51 | -45.03 | 0 | 3 | -1 | 52 | 230.287 | 3 | ↓ |