| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 29 | No |
Popular Name: N-[[2-[[isopropyl(methyl)amino]methyl]phenyl]methyl]-N'-(5-isoquinolyl)oxamide N-[[2-[[isopropyl(methyl)amino]m…
| 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) | 2.11 | 9.33 | -36.09 | 3 | 6 | 1 | 76 | 391.495 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.11 | 9.8 | -79.63 | 4 | 6 | 2 | 77 | 392.503 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
