In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2010 | 11 | 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 | -1.21 | -38.92 | 4 | 3 | 1 | 57 | 162.253 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.17 | -2.34 | -4.82 | 3 | 3 | 0 | 52 | 161.245 | 5 | ↓ |