UCSF

ZINC56678018

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2011 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) 2.95 5.29 -41.38 0 4 -1 54 320.415 6
Lo Low (pH 4.5-6) 2.49 7.14 -11.14 1 4 0 51 321.423 6

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

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