UCSF

ZINC08484897

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2006 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) 1.22 5.75 -80.18 4 6 2 62 248.334 2
Hi High (pH 8-9.5) 1.22 5.47 -10.45 2 6 0 60 246.318 2
Mid Mid (pH 6-8) 1.22 5.39 -32.69 3 6 1 61 247.326 2

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

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