In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 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) | 1.32 | 6.79 | -38.56 | 1 | 3 | 1 | 31 | 186.275 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.32 | 4.5 | -4.33 | 0 | 3 | 0 | 30 | 185.267 | 4 | ↓ |