In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2010 | 29 | 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) | 6.36 | 14.99 | -47.14 | 0 | 3 | -1 | 57 | 403.627 | 8 | ↓ |
Lo Low (pH 4.5-6) | 6.36 | 13.01 | -5.91 | 1 | 3 | 0 | 54 | 404.635 | 8 | ↓ |