| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2011 | 17 | Yes |
Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic (2S)-2-cyclopropyl-2-(ethylamino…
| 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) | -1.34 | 5.76 | -32.81 | 3 | 6 | 0 | 98 | 256.331 | 7 | ↓ |
| Hi High (pH 8-9.5) | -1.34 | 5.28 | -47.76 | 2 | 6 | -1 | 94 | 255.323 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
