UCSF

ZINC52842715

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 19 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) 0.51 2.89 -10.35 2 5 0 56 260.341 3
Mid Mid (pH 6-8) 0.51 3.33 -28.91 3 5 1 58 261.349 3
Lo Low (pH 4.5-6) 0.51 5.59 -97.23 4 5 2 59 262.357 3

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

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