| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2011 | 24 | No |
Popular Name: [4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone [4-[(2-fluorophenyl)methyl]-1,4-…
| 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) | 2.03 | 9.85 | -59.85 | 1 | 4 | 0 | 38 | 345.443 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 10.28 | -46.2 | 2 | 4 | 1 | 41 | 346.451 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 7.99 | -61.79 | 0 | 4 | -1 | 36 | 344.435 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
