UCSF

ZINC83923138

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2013 25 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) -5.57 -13.5 -104.53 10 12 1 215 363.347 8
Mid Mid (pH 6-8) -5.57 -13.86 -75.1 9 12 0 213 362.339 8

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

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