In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 34 | 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) | 4.74 | 12.4 | -12.42 | 0 | 6 | 0 | 73 | 454.526 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.74 | 12.86 | -37.22 | 1 | 6 | 1 | 74 | 455.534 | 6 | ↓ |