UCSF

ZINC69482325

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 2.98 8.12 -52.61 2 6 1 62 372.441 4
Mid Mid (pH 6-8) 2.98 5.78 -12.08 1 6 0 60 371.433 4

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

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