UCSF

ZINC69708885

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 24 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) -0.52 3.79 -43.5 2 7 1 66 341.476 7
Mid Mid (pH 6-8) -0.52 1.49 -19.41 1 7 0 65 340.468 7

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

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