UCSF

ZINC60522546

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2011 23 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.25 7.9 -13.63 1 3 0 38 320.314 4
Mid Mid (pH 6-8) 3.25 8.34 -31.39 2 3 1 39 321.322 4

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

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