| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 17 | Yes |
Popular Name: N-methyl-1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiazol-2-yl]methanamine N-methyl-1-[4-[(4-methyl-1,4-dia…
| 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) | 0.36 | 6.16 | -176.32 | 4 | 4 | 3 | 38 | 257.427 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.36 | 0.03 | -5.53 | 1 | 4 | 0 | 31 | 254.403 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.36 | 2.6 | -33.34 | 2 | 4 | 1 | 33 | 255.411 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | 4.05 | -82.98 | 3 | 4 | 2 | 37 | 256.419 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
