In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2010 | 16 | 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) | 1.79 | 5.37 | -43.83 | 3 | 3 | 1 | 49 | 215.276 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.79 | 4.02 | -13.43 | 2 | 3 | 0 | 45 | 214.268 | 2 | ↓ |