UCSF

ZINC45789177

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 30 Yes

CAS Numbers: 1163135-95-2 , 155206-00-1

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) 3.16 5.33 -11.98 4 5 0 90 415.574 12

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