UCSF

ZINC69875556

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 1.60 7.72 -53.67 2 6 1 69 342.448 6
Mid Mid (pH 6-8) 1.60 6.56 -12.48 1 6 0 65 341.44 6

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

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