UCSF

ZINC71540892

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 29 Yes

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) 2.66 10.64 -50.08 2 7 -1 107 411.507 10
Lo Low (pH 4.5-6) 2.66 8.66 -15.43 3 7 0 104 412.515 10

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

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