In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 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) | -1.63 | 3.8 | -48.52 | 3 | 6 | 1 | 85 | 242.299 | 4 | ↓ |
Hi High (pH 8-9.5) | -1.63 | 2.17 | -20.26 | 2 | 6 | 0 | 84 | 241.291 | 4 | ↓ |