UCSF

ZINC34214887

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 24 Yes

CAS Numbers: 73590-58-6 , [73590-58-6]

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) 2.94 5.32 -51.19 2 5 1 65 345.444 5
Mid Mid (pH 6-8) 2.94 4.9 -16.78 1 5 0 64 344.436 5

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

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