UCSF

ZINC38339299

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 30 Yes

CAS Numbers: 112828-00-9 , 112965-21-6

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) 4.59 7.26 -5.74 3 3 0 61 412.614 5

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