UCSF

ZINC69085098

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 28 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) 4.67 12.66 -49.64 2 4 1 46 392.548 5
Mid Mid (pH 6-8) 4.67 10.38 -14.76 1 4 0 45 391.54 5

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

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