UCSF

ZINC52840145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 23 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) 1.44 3.5 -47.09 5 6 1 89 339.485 9
Mid Mid (pH 6-8) 1.44 1.33 -18.28 4 6 0 87 338.477 9

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

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