UCSF

ZINC52424283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 16 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) 0.27 3.24 -85.08 4 4 2 48 225.336 3
Hi High (pH 8-9.5) 0.27 3.05 -92.88 4 4 2 48 225.336 3
Hi High (pH 8-9.5) 0.27 2.65 -33.19 3 4 1 47 224.328 3

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

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