| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 18 | Yes |
Popular Name: N,N-diethyl-5-[(4H-1,2,4-triazol-3-ylmethylamino)methyl]thiazol-2-amine N,N-diethyl-5-[(4H-1,2,4-triazol…
| 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) | 0.60 | 6.27 | -41.84 | 3 | 6 | 1 | 74 | 267.382 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.60 | 4.91 | -11.59 | 2 | 6 | 0 | 70 | 266.374 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.60 | 6.11 | -37.4 | 2 | 6 | 0 | 73 | 266.374 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
