UCSF

ZINC40770754

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 2.40 7.47 -8.96 0 5 0 41 326.444 4
Mid Mid (pH 6-8) 2.40 9.69 -48.88 1 5 1 43 327.452 4

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

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