UCSF

ZINC52431065

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 22 No

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) 1.30 2.46 -40.03 2 6 -1 90 318.378 3
Ref Reference (pH 7) 1.57 3.45 -41.26 2 6 -1 84 318.378 3
Mid Mid (pH 6-8) 0.84 3.78 -12.35 3 6 0 87 319.386 3

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

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