UCSF

ZINC84758354

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2013 20 Yes

CAS Numbers: [68779-67-9] , [74709-54-9]

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) 2.67 6.37 -40.61 2 3 1 30 269.368 0
Mid Mid (pH 6-8) 2.67 4.09 -5.95 1 3 0 28 268.36 0

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

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