| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 20 | No |
Popular Name: (3R)-3-[[(1S)-1-(3-nitrophenyl)ethyl]amino]azepan-2-one (3R)-3-[[(1S)-1-(3-nitrophenyl)e…
| 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) | 1.99 | 6.17 | -54.01 | 3 | 6 | 1 | 92 | 278.332 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 5.95 | -13.37 | 2 | 6 | 0 | 87 | 277.324 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
