| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 18 | Yes |
Popular Name: (2S)-2-cyclopropyl-2-(isopropylamino)-3-(4-methylthiazol-2-yl)sulfanyl-propanenitrile (2S)-2-cyclopropyl-2-(isopropyla…
| 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) | 2.98 | 5.22 | -7.11 | 1 | 3 | 0 | 49 | 281.45 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.98 | 6.14 | -39.92 | 2 | 3 | 1 | 53 | 282.458 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
