UCSF

ZINC04792120

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 23 No

CAS Numbers: 3381-88-2 , 88979-44-6

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) 4.35 0.33 -5.43 1 2 0 37 318.501 0

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