In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 18 | 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) | 0.86 | 7.13 | -40.41 | 3 | 3 | 1 | 48 | 249.378 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.86 | 6.76 | -8.02 | 2 | 3 | 0 | 46 | 248.37 | 7 | ↓ |