In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 29 | 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) | 2.35 | 8.39 | -121.37 | 0 | 7 | -2 | 110 | 393.395 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.35 | 7.56 | -56.86 | 1 | 7 | -1 | 107 | 394.403 | 7 | ↓ |