UCSF

ZINC67897037

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 14 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) 0.00 2.43 -42.92 2 4 1 43 197.258 2
Mid Mid (pH 6-8) 0.00 0.08 -7.53 1 4 0 42 196.25 2

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

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