UCSF

ZINC86860096

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 15 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) 1.92 3.9 -6.45 2 3 0 52 205.257 3
Lo Low (pH 4.5-6) 1.92 4.31 -49.41 3 3 1 54 206.265 3

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

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