UCSF

ZINC42479557

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 19 No

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) -0.58 -0.03 -32.01 5 7 1 109 266.325 5
Mid Mid (pH 6-8) -0.58 -0.62 -9.47 4 7 0 108 265.317 5

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

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