UCSF

ZINC40183983

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 32 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) 3.79 12.1 -12.71 0 6 0 60 448.954 7
Lo Low (pH 4.5-6) 3.79 12.94 -38.89 1 6 1 62 449.962 7

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