UCSF

ZINC71564239

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 18 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) 1.58 4.69 -40.7 2 4 1 52 250.318 6
Mid Mid (pH 6-8) 1.58 3.51 -10.4 1 4 0 48 249.31 6

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

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