| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 21 | Yes |
Popular Name: (2S)-2-cyclopropyl-3-[(2S)-2-methylindolin-1-yl]-2-(propylamino)propanenitrile (2S)-2-cyclopropyl-3-[(2S)-2-met…
| 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) | 3.74 | 8.77 | -7.7 | 1 | 3 | 0 | 39 | 283.419 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.74 | 9.83 | -31.53 | 2 | 3 | 1 | 40 | 284.427 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.74 | 9.73 | -39.08 | 2 | 3 | 1 | 44 | 284.427 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
