UCSF

ZINC53648805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 14 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) 1.92 7.92 -111.08 3 2 2 21 198.354 6
Hi High (pH 8-9.5) 1.92 6.57 -28.7 2 2 1 16 197.346 6
Mid Mid (pH 6-8) 1.92 6.09 -34.24 2 2 1 20 197.346 6

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

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