In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 16 | 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) | 0.71 | 0.7 | -49.2 | 5 | 4 | 1 | 77 | 223.296 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.71 | 0.4 | -8.5 | 4 | 4 | 0 | 75 | 222.288 | 5 | ↓ |