In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2009 | 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) | -0.66 | -0.29 | -49.08 | 4 | 5 | 1 | 74 | 181.219 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.66 | -1.72 | -9.47 | 3 | 5 | 0 | 70 | 180.211 | 2 | ↓ |