In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 25th, 2010 | 20 | Yes |
Popular Name: 2-[[5-ethyl-4-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-ethyl-4-[(1S)-2-imidazol-1…
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) | 0.33 | 9.24 | -48.61 | 0 | 7 | -1 | 89 | 294.36 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.33 | 9.75 | -64.28 | 1 | 7 | 0 | 90 | 295.368 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.