In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 21 | Yes |
Popular Name: 2-[(5-propyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-(trifluoromethyl)thiazole-5-carboxylic 2-[(5-propyl-1,3,4-thiadiazol-2-…
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) | 3.74 | 6.15 | -48.18 | 0 | 5 | -1 | 79 | 354.38 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | WO1998027092A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.