UCSF

ZINC48975632

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 27 No

Popular Name: N'-(5-isoquinolyl)-N-[(1R)-3-methyl-1-phenyl-butyl]oxamide N'-(5-isoquinolyl)-N-[(1R)-3-met…

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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) 2.62 8.23 -8.1 2 5 0 71 361.445 6 ↓
Hi High (pH 8-9.5) 2.80 7.44 -48.13 1 5 -1 77 360.437 6 ↓
Lo Low (pH 4.5-6) 2.62 8.69 -39.37 3 5 1 72 362.453 6 ↓

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

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