| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 19 | Yes |
Popular Name: (3-hydroxy-2-pyridyl)-[4-[(1S)-1-methylpropyl]piperazin-1-yl]methanone (3-hydroxy-2-pyridyl)-[4-[(1S)-1…
| 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) | 1.42 | 2.82 | -29.03 | 1 | 5 | 0 | 61 | 263.341 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 5.64 | -37.88 | 2 | 5 | 1 | 58 | 264.349 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 6.65 | -61.09 | 1 | 5 | 0 | 61 | 263.341 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 4.64 | -58.18 | 2 | 5 | 1 | 62 | 264.349 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 4.86 | -51.7 | 0 | 5 | -1 | 59 | 262.333 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 3.85 | -10.17 | 1 | 5 | 0 | 57 | 263.341 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
