In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 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) | 2.37 | 7.37 | -87.71 | 3 | 3 | 2 | 34 | 243.354 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.37 | 5.89 | -27.8 | 2 | 3 | 1 | 29 | 242.346 | 1 | ↓ |