UCSF

ZINC71538582

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 28 Yes

Popular Name: (2R)-4-acetyl-N-[4-cyano-3-(cyanomethyl)-1H-pyrazol-5-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-6-sul (2R)-4-acetyl-N-[4-cyano-3-(cyan…

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Vendors

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) 0.77 3.86 -69.44 1 10 -1 154 399.412 4 ↓

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

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