In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2010 | 10 | 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) | 1.00 | 0.19 | -37.31 | 4 | 3 | 1 | 60 | 145.226 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.00 | -0.85 | -5.72 | 3 | 3 | 0 | 55 | 144.218 | 4 | ↓ |