| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 17 | Yes |
Popular Name: (3S)-3-[[(1R)-1-(2-methylthiazol-4-yl)ethyl]amino]azepan-2-one (3S)-3-[[(1R)-1-(2-methylthiazol…
| 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) | 0.94 | 3.22 | -34.32 | 3 | 4 | 1 | 59 | 254.379 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 3.23 | -7.72 | 2 | 4 | 0 | 54 | 253.371 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
