In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2010 | 13 | 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) | 1.04 | 0.38 | -42.13 | 3 | 3 | 1 | 46 | 180.227 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.04 | -1.32 | -5.93 | 2 | 3 | 0 | 41 | 179.219 | 2 | ↓ |