UCSF

ZINC51480806

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 19 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) 0.92 5.6 -42.92 2 5 1 59 278.405 6
Hi High (pH 8-9.5) 0.92 4.22 -11.97 1 5 0 54 277.397 6
Lo Low (pH 4.5-6) 0.92 5.75 -92.23 3 5 2 60 279.413 6

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

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