| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-2-methyl-butanenitrile (2S)-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) | 1.88 | 4.98 | -34.38 | 2 | 4 | 1 | 43 | 279.452 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 2.9 | -3.98 | 1 | 4 | 0 | 42 | 278.444 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 6.07 | -86.55 | 3 | 4 | 2 | 48 | 280.46 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
