| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 20 | Yes |
Popular Name: 1-(azepan-1-yl)-2-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]ethanone 1-(azepan-1-yl)-2-[[(4R)-4,5,6,7…
| 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) | 1.95 | 8.6 | -42.9 | 2 | 3 | 1 | 37 | 293.456 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 7.53 | -8.97 | 1 | 3 | 0 | 32 | 292.448 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
