| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 26 | No |
Popular Name: N-[(2S)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)oxamide N-[(2S)-2-(azepan-1-yl)-2-(1-met…
| 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) | 1.70 | 6.3 | -38.57 | 3 | 6 | 1 | 68 | 375.415 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 4.81 | -31.61 | 2 | 6 | 0 | 74 | 374.407 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 4.66 | -7 | 2 | 6 | 0 | 66 | 374.407 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
