| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 20 | Yes |
Popular Name: (3S)-3-[[(1R)-1-(2,4,5-trimethylphenyl)ethyl]amino]azepan-2-one (3S)-3-[[(1R)-1-(2,4,5-trimethyl…
| 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) | 3.26 | 7.16 | -39.1 | 3 | 3 | 1 | 46 | 275.416 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 7.35 | -8.27 | 2 | 3 | 0 | 41 | 274.408 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
