UCSF

ZINC25726938

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 22 Yes

CAS Numbers: 100157-55-9 , 16966-07-7

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) 2.65 6.77 -57.39 1 6 -1 88 308.354 8

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