UCSF

ZINC56898743

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 23 Yes

CAS Numbers: 359689-54-6 , [380886-95-3]

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) -1.49 -2.5 -18.29 5 9 0 143 326.353 6

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