In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2011 | 25 | Yes |
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) | 0.85 | 4.83 | -37.47 | 1 | 8 | 1 | 82 | 345.427 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.85 | 6.67 | -45.06 | 1 | 8 | 1 | 82 | 345.427 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.85 | 4.41 | -9.69 | 0 | 8 | 0 | 80 | 344.419 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.85 | 7.1 | -107.4 | 2 | 8 | 2 | 83 | 346.435 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.