| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 19 | Yes |
Popular Name: (2S)-2-cyclopropyl-3-(3,4-dihydro-2H-quinolin-1-yl)-2-(methylamino)propanenitrile (2S)-2-cyclopropyl-3-(3,4-dihydr…
| 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) | 3.05 | 6.62 | -9.34 | 1 | 3 | 0 | 39 | 255.365 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.05 | 7.28 | -17.65 | 2 | 3 | 0 | 40 | 256.373 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.05 | 7.82 | -48.27 | 2 | 3 | 1 | 44 | 256.373 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
