| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 18 | Yes |
Popular Name: (3R)-3-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]azepan-2-one (3R)-3-[[(4R)-4,5,6,7-tetrahydro…
| 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) | 1.19 | 5.68 | -38.81 | 3 | 3 | 1 | 46 | 265.402 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 5.34 | -6.39 | 2 | 3 | 0 | 41 | 264.394 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
