UCSF

ZINC67489734

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 27 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) -1.55 0.98 -14.84 3 9 0 123 368.397 5
Lo Low (pH 4.5-6) -1.55 1.39 -41.51 4 9 1 124 369.405 5

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

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