In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2010 | 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) | 2.64 | 8.32 | -45.12 | 0 | 3 | -1 | 57 | 219.26 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.64 | 6.33 | -6.66 | 1 | 3 | 0 | 54 | 220.268 | 5 | ↓ |