UCSF

ZINC53649719

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 18 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) 1.93 5.98 -37.5 2 3 1 33 248.394 5
Mid Mid (pH 6-8) 1.93 6.25 -90.7 3 3 2 34 249.402 5
Lo Low (pH 4.5-6) 1.93 7.86 -111.78 3 3 2 34 249.402 5

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

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