In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 36 | 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) | 3.35 | 10.71 | -60.86 | 0 | 9 | -1 | 109 | 503.56 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.35 | 10.79 | -21.78 | 1 | 9 | 0 | 106 | 504.568 | 8 | ↓ |