In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2008 | 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) | -0.48 | -0.29 | -14.54 | 2 | 6 | 0 | 84 | 258.299 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.48 | 0.25 | -57.23 | 2 | 6 | -1 | 84 | 257.291 | 2 | ↓ |