UCSF

ZINC41557753

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 25 No

Popular Name: N'-[(4-cyanophenyl)methyl]-N-(5-isoquinolyl)oxamide N'-[(4-cyanophenyl)methyl]-N-(5-…

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Physical Representations

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) 1.44 5.89 -12.04 2 6 0 95 330.347 4 ↓
Lo Low (pH 4.5-6) 1.44 6.36 -43.95 3 6 1 96 331.355 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.