| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 21 | No |
Popular Name: N-[(2S)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]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) | 0.40 | 3.49 | -36.93 | 4 | 6 | 1 | 82 | 293.391 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 1.86 | -7.36 | 3 | 6 | 0 | 80 | 292.383 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.58 | 2.04 | -35.59 | 3 | 6 | 0 | 88 | 292.383 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
