In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2010 | 25 | No |
Popular Name: N'-(5-isoquinolyl)-N-[(4-methoxyphenyl)methyl]oxamide N'-(5-isoquinolyl)-N-[(4-methoxy…
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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) | 1.74 | 4.8 | -9.72 | 2 | 6 | 0 | 80 | 335.363 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.74 | 5.27 | -41.1 | 3 | 6 | 1 | 82 | 336.371 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.