UCSF

ZINC65355894

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 19 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) 3.39 7 -57.2 2 4 -1 79 269.305 2
Mid Mid (pH 6-8) 3.39 7.42 -38.85 3 4 0 80 270.313 2

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

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