UCSF

ZINC39917741

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 5.49 15.47 -43.75 1 3 1 22 362.541 6
Lo Low (pH 4.5-6) 5.49 15.84 -95.37 2 3 2 24 363.549 6

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