| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: (1S,6R)-6-[4-[(1R)-1-methylpropyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic (1S,6R)-6-[4-[(1R)-1-methylpropy…
| 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) | 1.67 | 8.52 | -47.49 | 1 | 5 | 0 | 65 | 294.395 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 6.66 | -46.47 | 0 | 5 | -1 | 64 | 293.387 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.67 | 6.58 | -36.41 | 2 | 5 | 1 | 62 | 295.403 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
