UCSF

ZINC20442966

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 17 Yes

CAS Numbers: 168618-47-1 , 98496-27-6

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) 3.69 7.94 -54.89 0 3 -1 49 227.239 3

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