| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 18 | Yes |
Popular Name: [2-(4-methyl-1,4-diazepan-1-yl)-4-propyl-thiazol-5-yl]methanamine [2-(4-methyl-1,4-diazepan-1-yl)-…
| 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) | 1.98 | 6.66 | -93.28 | 4 | 4 | 2 | 48 | 270.446 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 4.19 | -5.71 | 2 | 4 | 0 | 45 | 268.43 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 6.28 | -40.19 | 3 | 4 | 1 | 47 | 269.438 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 4.64 | -45.95 | 3 | 4 | 1 | 47 | 269.438 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
