UCSF

ZINC08791955

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 20 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) 1.48 1.02 -13.01 1 7 0 77 273.296 2
Mid Mid (pH 6-8) 1.48 1.27 -36.84 2 7 1 78 274.304 2

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

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