| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-[(3S)-3-(diethylamino)pyrrolidin-1-yl]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) | 1.44 | 5.17 | -36.09 | 2 | 4 | 1 | 43 | 265.425 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 2.99 | -4.16 | 1 | 4 | 0 | 42 | 264.417 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.44 | 6.05 | -97 | 3 | 4 | 2 | 48 | 266.433 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
