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) | 0.33 | 2.28 | -74.18 | 4 | 5 | 0 | 97 | 226.207 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.33 | 1.96 | -55.2 | 3 | 5 | -1 | 95 | 225.199 | 3 | ↓ |