UCSF

ZINC68913959

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 16 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) 0.05 1.14 -49.44 3 5 1 70 244.34 2
Mid Mid (pH 6-8) 0.05 -0.19 -10.89 2 5 0 65 243.332 2

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

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