UCSF

ZINC39881684

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 33 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) 4.44 14.16 -34.82 1 5 1 47 436.535 3
Mid Mid (pH 6-8) 4.44 14.06 -21.12 0 5 0 46 435.527 3

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