In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 3rd, 2009 | 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) | 1.74 | 6.48 | -20.54 | 1 | 8 | 0 | 84 | 433.464 | 3 | ↓ |
Ref Reference (pH 7) | 1.74 | 6.24 | -17.82 | 1 | 8 | 0 | 84 | 433.464 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.74 | 8.66 | -61.08 | 2 | 8 | 1 | 85 | 434.472 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.74 | 8.67 | -63.84 | 2 | 8 | 1 | 85 | 434.472 | 3 | ↓ |