| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-propanenitrile (2S)-2-(cyclopropylamino)-3-[(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) | 0.86 | 3.6 | -37.21 | 2 | 4 | 1 | 43 | 237.371 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 1.21 | -3.95 | 1 | 4 | 0 | 42 | 236.363 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.86 | 4.7 | -93.57 | 3 | 4 | 2 | 48 | 238.379 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
