| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 19 | Yes |
Popular Name: N-[[5-[(4-methyl-1,4-diazepan-1-yl)methyl]isoxazol-3-yl]methyl]propan-2-amine 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) | 1.10 | 7.23 | -183.03 | 4 | 5 | 3 | 52 | 269.413 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 4.92 | -95.7 | 3 | 5 | 2 | 50 | 268.405 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 3.71 | -38.18 | 2 | 5 | 1 | 46 | 267.397 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 5.12 | -84.33 | 3 | 5 | 2 | 50 | 268.405 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
