In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 17 | 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) | 1.21 | 1.21 | -49.69 | 5 | 4 | 1 | 77 | 231.275 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 0.9 | -11.19 | 4 | 4 | 0 | 75 | 230.267 | 2 | ↓ |