UCSF

ZINC69941906

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 13 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) 0.91 2.81 -29.98 4 3 1 60 179.243 2
Mid Mid (pH 6-8) 0.91 2.34 -5.66 3 3 0 59 178.235 2

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

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