UCSF

ZINC05922853

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 23 Yes

CAS Number: 133268-58-3

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.74 11.96 -45.09 1 3 -1 60 319.465 14
Lo Low (pH 4.5-6) 4.74 9.99 -7.37 2 3 0 58 320.473 14

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

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