| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 17 | Yes |
Popular Name: N-[[2-(4-methyl-1,4-diazepan-1-yl)thiazol-5-yl]methyl]ethanamine N-[[2-(4-methyl-1,4-diazepan-1-y…
| 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) | 1.43 | 7.29 | -84.51 | 3 | 4 | 2 | 37 | 256.419 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 3.97 | -4.76 | 1 | 4 | 0 | 31 | 254.403 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 5.34 | -38.48 | 2 | 4 | 1 | 36 | 255.411 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
