UCSF

ZINC52419930

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 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) 1.13 8.22 -167.41 4 4 3 39 268.425 5
Hi High (pH 8-9.5) 1.13 5.82 -92.37 3 4 2 37 267.417 5
Mid Mid (pH 6-8) 1.13 5.75 -81.13 3 4 2 37 267.417 5

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

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