| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | Yes |
Popular Name: (2R)-2-(cyclopropylamino)-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-butanenitrile (2R)-2-(cyclopropylamino)-4-[(3S…
| 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) | 1.13 | 3.85 | -37.66 | 2 | 4 | 1 | 43 | 251.398 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.13 | 1.45 | -6.4 | 1 | 4 | 0 | 42 | 250.39 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 5.01 | -87.51 | 3 | 4 | 2 | 48 | 252.406 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
