UCSF

ZINC52828479

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.13 12.66 -48.57 2 4 1 46 370.476 3
Mid Mid (pH 6-8) 4.13 10.57 -15.68 1 4 0 45 369.468 3

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

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