| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 18 | Yes |
Popular Name: N-[[2-(4-methyl-1,4-diazepan-1-yl)thiazol-5-yl]methyl]propan-1-amine 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) | 1.93 | 8.03 | -85.72 | 3 | 4 | 2 | 37 | 270.446 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 4.73 | -4.65 | 1 | 4 | 0 | 31 | 268.43 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 6.09 | -39.26 | 2 | 4 | 1 | 36 | 269.438 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
