In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 15 | 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) | -0.56 | 3.18 | -102.36 | 4 | 4 | 2 | 54 | 213.325 | 1 | ↓ |
Hi High (pH 8-9.5) | -0.56 | 2.03 | -49.57 | 3 | 4 | 1 | 49 | 212.317 | 1 | ↓ |