UCSF

ZINC52860643

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 21 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) 1.45 6.65 -5.63 3 5 0 75 304.781 5
Lo Low (pH 4.5-6) 1.45 5.36 -29.45 4 5 1 76 305.789 5
Lo Low (pH 4.5-6) 1.45 7.11 -36.42 4 5 1 76 305.789 5
Lo Low (pH 4.5-6) 1.45 5.83 -92.16 5 5 2 78 306.797 5

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

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