In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2009 | 19 | 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) | 2.72 | 4.19 | -54.46 | 4 | 4 | 1 | 66 | 277.731 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.72 | 3.81 | -12.05 | 3 | 4 | 0 | 64 | 276.723 | 4 | ↓ |