UCSF

ZINC37179724

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 2.37 5.4 -39.38 3 3 1 46 251.737 3
Mid Mid (pH 6-8) 2.37 4.15 -5.81 2 3 0 41 250.729 3

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

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