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) | -0.17 | 0.41 | -109.37 | 6 | 4 | 2 | 74 | 226.32 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.17 | 0.02 | -44.49 | 5 | 4 | 1 | 72 | 225.312 | 6 | ↓ |