UCSF

ZINC65526539

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.53 7.93 -293 5 4 4 49 322.472 7
Mid Mid (pH 6-8) 3.53 5.7 -200.77 4 4 3 48 321.464 7
Mid Mid (pH 6-8) 3.53 6.75 -163.98 4 4 3 44 321.464 7

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

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