In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 25th, 2010 | 19 | Yes |
Popular Name: 2-[[5-[[(1R)-2-imidazol-1-yl-1-methyl-ethyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[[(1R)-2-imidazol-1-yl-1-m…
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) | 0.49 | 7.39 | -69.92 | 2 | 7 | 0 | 97 | 299.381 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.49 | 6.88 | -52.35 | 1 | 7 | -1 | 96 | 298.373 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.