| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 22 | No |
Popular Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-thioxo-1H-pyridine-3-carboxamide N-(3-methyl-4-pyrrolidin-1-yl-ph…
| 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) | 2.43 | 8.73 | -36.37 | 2 | 4 | 0 | 48 | 313.426 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 8.35 | -71.96 | 2 | 4 | 0 | 46 | 313.426 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 8.67 | -56.24 | 3 | 4 | 1 | 49 | 314.434 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 8.37 | -60.73 | 1 | 4 | -1 | 45 | 312.418 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
