UCSF

ZINC38740234

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 3.62 12.84 -41.3 2 8 1 93 471.622 7
Mid Mid (pH 6-8) 3.62 12.52 -20.63 1 8 0 92 470.614 7

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

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