| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 22 | No |
Popular Name: N,N-bis(cyanomethyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propanamide N,N-bis(cyanomethyl)-3-[(2S)-2-(…
| 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) | -0.10 | 7.66 | -53.86 | 1 | 7 | 1 | 90 | 301.374 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.10 | 5.69 | -19.43 | 0 | 7 | 0 | 89 | 300.366 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
