UCSF

ZINC38595323

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 33 No

CAS Numbers: 139755-83-2 , 171599-83-0

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) 1.07 3.57 -15.14 0 10 0 107 474.587 7
Mid Mid (pH 6-8) 1.07 5.91 -53.5 1 10 1 108 475.595 7

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