| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 26 | No |
Popular Name: 2-[(2S)-4-(1,4-dithiepan-6-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol 2-[(2S)-4-(1,4-dithiepan-6-yl)-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) | 2.54 | 6.85 | -40.98 | 2 | 4 | 1 | 37 | 397.63 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 6.95 | -35.56 | 2 | 4 | 1 | 37 | 397.63 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 4.7 | -6.3 | 1 | 4 | 0 | 36 | 396.622 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
