| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 21 | No |
Popular Name: (3S)-3-[[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]amino]azepan-2-one (3S)-3-[[(1S)-1-(4-methyl-3-nitr…
| 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) | 2.39 | 6.97 | -51.24 | 3 | 6 | 1 | 92 | 292.359 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.39 | 6.62 | -13.79 | 2 | 6 | 0 | 87 | 291.351 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
