| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 18 | Yes |
Popular Name: N-[[5-[(4-methyl-1,4-diazepan-1-yl)methyl]isoxazol-3-yl]methyl]ethanamine N-[[5-[(4-methyl-1,4-diazepan-1-…
| 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) | 0.80 | 6.71 | -183.24 | 4 | 5 | 3 | 52 | 255.386 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 4.39 | -96.41 | 3 | 5 | 2 | 50 | 254.378 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 3.01 | -38.32 | 2 | 5 | 1 | 46 | 253.37 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 4.59 | -85.4 | 3 | 5 | 2 | 50 | 254.378 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
