| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 19 | Yes |
Popular Name: 2-methyl-N-[[5-[(4-methylpiperazin-1-yl)methyl]isoxazol-3-yl]methyl]propan-1-amine 2-methyl-N-[[5-[(4-methylpiperaz…
| 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) | 1.28 | 5.23 | -86.26 | 3 | 5 | 2 | 50 | 268.405 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 2.87 | -42.19 | 2 | 5 | 1 | 49 | 267.397 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 5.12 | -98.49 | 3 | 5 | 2 | 50 | 268.405 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
