UCSF

ZINC69146279

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 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) -0.04 1.68 -52.81 2 7 1 94 288.397 4
Hi High (pH 8-9.5) -0.04 0.45 -15.43 1 7 0 90 287.389 4

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

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