| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2011 | 25 | No |
Popular Name: N-[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]-2-thioxo-1H-pyridine-3-carboxamide N-[1-[(3,4-dichlorophenyl)methyl…
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| 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) | 3.68 | 9.44 | -84.97 | 2 | 4 | 0 | 46 | 396.343 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 7.19 | -60.01 | 1 | 4 | -1 | 45 | 395.335 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.68 | 8.91 | -55.91 | 2 | 4 | 1 | 46 | 397.351 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
