UCSF

ZINC40188547

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 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) 3.36 10.44 -17.01 1 6 0 67 396.535 5
Lo Low (pH 4.5-6) 3.36 10.87 -31.84 2 6 1 68 397.543 5

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