| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 18 | Yes |
Popular Name: N-[[4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[(4-methyl-1,4-diazepan-1-…
| 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) | 0.74 | 7.02 | -176.16 | 4 | 4 | 3 | 38 | 271.454 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 0.96 | -5.38 | 1 | 4 | 0 | 31 | 268.43 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 3.54 | -33.12 | 2 | 4 | 1 | 33 | 269.438 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 4.91 | -82.05 | 3 | 4 | 2 | 37 | 270.446 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
