UCSF

ZINC95887463

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 18 Yes

CAS Numbers: 96096-54-7 , 96096-55-8

Download: MOL2 SDF SMILES Flexibase

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) 2.86 7.04 -91.98 2 3 2 28 248.37 5
Hi High (pH 8-9.5) 2.86 4.58 -30.94 1 3 1 26 247.362 5

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

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