In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 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) | 2.06 | 4.8 | -41.58 | 2 | 3 | 1 | 29 | 249.378 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.06 | 3.39 | -3.71 | 1 | 3 | 0 | 24 | 248.37 | 4 | ↓ |