| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 18 | No |
Popular Name: (4-cyclopropylpiperazin-1-yl)-(2-thioxo-1H-pyridin-3-yl)methanone (4-cyclopropylpiperazin-1-yl)-(2…
| 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) | 0.61 | 6.42 | -70.62 | 1 | 4 | 0 | 38 | 263.366 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.61 | 4.05 | -58.69 | 0 | 4 | -1 | 36 | 262.358 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.12 | 6.81 | -63.34 | 2 | 4 | 1 | 41 | 264.374 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.12 | 4.43 | -31.85 | 1 | 4 | 0 | 39 | 263.366 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
