| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 20 | Yes |
Popular Name: N,N-diethyl-5-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]thiazol-2-amine N,N-diethyl-5-[[(1,3,5-trimethyl…
| 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) | 2.16 | 6.73 | -9.28 | 1 | 5 | 0 | 46 | 293.44 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.16 | 7.31 | -70.38 | 3 | 5 | 2 | 48 | 295.456 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.16 | 6.85 | -29.55 | 2 | 5 | 1 | 47 | 294.448 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.16 | 7.18 | -32 | 2 | 5 | 1 | 47 | 294.448 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
