UCSF

ZINC60119248

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) -2.69 -10.24 -15.85 7 12 0 179 462.496 11
Mid Mid (pH 6-8) -2.69 -9.02 -44.4 8 12 1 184 463.504 11

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

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