In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 17th, 2009 | 9 | 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) | 0.25 | 3.92 | -39.95 | 2 | 2 | 1 | 40 | 125.195 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.25 | 2.97 | -7.44 | 1 | 2 | 0 | 36 | 124.187 | 3 | ↓ |