UCSF

ZINC39937440

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 23 No

CAS Numbers: 57-50-1 , [8047-67-4]

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) -3.74 -14.77 -19.94 8 11 0 190 342.297 5

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Analogs ( Draw Identity 99% 90% 80% 70% )