In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 28 | 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) | 3.39 | 4.85 | -46.78 | 0 | 8 | -1 | 94 | 398.468 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.39 | 4.73 | -68.89 | 1 | 8 | 0 | 96 | 399.476 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.94 | 6.6 | -52.09 | 2 | 8 | 1 | 93 | 400.484 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.