In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 2010 | 32 | No |
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) | 4.37 | 10.46 | -56.59 | 0 | 6 | -1 | 79 | 454.93 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.37 | 9.7 | -10.83 | 1 | 6 | 0 | 76 | 455.938 | 8 | ↓ |