| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 17 | Yes |
Popular Name: N-methyl-1-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]isoxazol-3-yl]methanamine N-methyl-1-[5-[(4-methyl-1,4-dia…
| 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) | 0.42 | 5.85 | -182.74 | 4 | 5 | 3 | 52 | 241.359 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.42 | 3.53 | -96.36 | 3 | 5 | 2 | 50 | 240.351 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.42 | 2.08 | -38.46 | 2 | 5 | 1 | 46 | 239.343 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.42 | 3.74 | -85.82 | 3 | 5 | 2 | 50 | 240.351 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
