UCSF

ZINC55466523

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 22 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) 3.70 7.33 -33.65 2 4 1 50 300.426 5
Hi High (pH 8-9.5) 3.70 5.28 -15.46 1 4 0 48 299.418 5
Lo Low (pH 4.5-6) 3.70 8.38 -83.39 3 4 2 51 301.434 5

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

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