| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 21 | Yes |
Popular Name: N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-propyl-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) | 3.23 | 10.14 | -85.68 | 3 | 4 | 2 | 37 | 312.527 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.23 | 6.77 | -4.95 | 1 | 4 | 0 | 31 | 310.511 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.23 | 8.17 | -39.7 | 2 | 4 | 1 | 36 | 311.519 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
