| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 20 | Yes |
Popular Name: 2-methyl-N-[[5-[(4-methyl-1,4-diazepan-1-yl)methyl]isoxazol-3-yl]methyl]propan-2-amine 2-methyl-N-[[5-[(4-methyl-1,4-di…
| 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) | 1.61 | 7.66 | -181.62 | 4 | 5 | 3 | 52 | 283.44 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 5.35 | -93.94 | 3 | 5 | 2 | 50 | 282.432 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 4.1 | -38.03 | 2 | 5 | 1 | 46 | 281.424 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.61 | 5.54 | -82.35 | 3 | 5 | 2 | 50 | 282.432 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
