In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 16 | Yes |
Popular Name: 1-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]thiazol-2-yl]-N-methyl-methanamine 1-[4-[(3,5-dimethyl-1,2,4-triazo…
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) | -0.31 | 4.28 | -43.95 | 2 | 5 | 1 | 60 | 238.34 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.31 | 2.84 | -9.39 | 1 | 5 | 0 | 56 | 237.332 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.