UCSF

ZINC52854112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 21 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) 2.65 8.96 -48.17 3 4 1 48 287.431 5
Hi High (pH 8-9.5) 2.65 6.74 -7.99 2 4 0 47 286.423 5
Mid Mid (pH 6-8) 2.65 9.25 -92.91 4 4 2 50 288.439 5

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

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