| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 21 | Yes |
Popular Name: (2R)-1-(azepan-1-yl)-2-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]propan-1-one (2R)-1-(azepan-1-yl)-2-[[(4R)-4,…
| 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) | 2.28 | 8.92 | -38.94 | 2 | 3 | 1 | 37 | 307.483 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 7.95 | -9.25 | 1 | 3 | 0 | 32 | 306.475 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
