In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2009 | 33 | 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) | 3.60 | 8.98 | -14.59 | 1 | 6 | 0 | 56 | 451.542 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.60 | 11.17 | -52.15 | 2 | 6 | 1 | 57 | 452.55 | 7 | ↓ |