| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 24 | No |
Popular Name: (2S)-2-cyano-3-[3-(cyclopropylcarbamoylamino)phenyl]-N-isopropyl-3-oxo-propanamide (2S)-2-cyano-3-[3-(cyclopropylca…
None
| 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) | 1.09 | 4.77 | -56.31 | 3 | 7 | -1 | 117 | 327.364 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.09 | -1.1 | -46.41 | 3 | 7 | -1 | 124 | 327.364 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
