In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2006 | 22 | 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) | 3.36 | 6.73 | -5.75 | 2 | 3 | 0 | 45 | 294.398 | 3 | ↓ |
Ref Reference (pH 7) | 3.36 | 6.72 | -5.66 | 2 | 3 | 0 | 45 | 294.398 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.36 | 7.95 | -41.3 | 3 | 3 | 1 | 49 | 295.406 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.36 | 7.94 | -40.58 | 3 | 3 | 1 | 49 | 295.406 | 3 | ↓ |