| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 24th, 2009 | 15 | Yes |
Popular Name: (2S)-2-[(1S)-cyclohex-3-en-1-yl]-2-piperazin-1-yl-ethanol (2S)-2-[(1S)-cyclohex-3-en-1-yl]…
None
| 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) | 0.79 | 2.73 | -28.64 | 2 | 3 | 0 | 40 | 210.321 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 0.4 | -2.64 | 2 | 3 | 0 | 35 | 210.321 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.79 | 1.75 | -37.38 | 3 | 3 | 1 | 40 | 211.329 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.79 | 3.51 | -112.14 | 4 | 3 | 2 | 41 | 212.337 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.79 | 2.19 | -31.28 | 3 | 3 | 1 | 37 | 211.329 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
