UCSF

ZINC84759532

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2013 21 Yes

CAS Numbers: [195875-84-4] , [402856-42-2]

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) 4.93 9.49 -37.88 1 2 1 14 329.291 4

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