| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 16 | Yes |
Popular Name: N-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)thiazol-5-yl]methanamine N-methyl-1-[2-(4-methyl-1,4-diaz…
| 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) | 1.05 | 6.43 | -85.12 | 3 | 4 | 2 | 37 | 242.392 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 3.04 | -4.99 | 1 | 4 | 0 | 31 | 240.376 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 4.48 | -39.41 | 2 | 4 | 1 | 36 | 241.384 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
