In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 5th, 2008 | 35 | 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) | 3.95 | 7.8 | -63.4 | 1 | 8 | -1 | 108 | 482.553 | 12 | ↓ |
Mid Mid (pH 6-8) | 4.39 | 6.73 | -30 | 2 | 8 | 0 | 106 | 483.561 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.37 | 7.71 | -25.97 | 1 | 8 | 0 | 102 | 483.561 | 12 | ↓ |