UCSF

ZINC66124044

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 36 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) 5.73 15.77 -12.96 1 6 0 61 498.549 9
Mid Mid (pH 6-8) 5.73 16.7 -36.59 2 6 1 63 499.557 9

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

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