UCSF

ZINC26329865

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 12 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) -0.20 0.85 -9.39 0 4 0 47 167.164 1
Lo Low (pH 4.5-6) -0.20 -0.27 -45.21 1 4 1 50 168.172 1

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

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