UCSF

ZINC66156858

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 25 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) 4.03 11.36 -6.49 1 5 0 54 341.455 8
Lo Low (pH 4.5-6) 4.03 12.54 -34.21 2 5 1 56 342.463 8
Lo Low (pH 4.5-6) 4.03 13.09 -32.6 2 5 1 56 342.463 9

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

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