UCSF

ZINC65493005

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 27 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) 2.85 8.96 -15.73 1 6 0 64 377.835 2
Mid Mid (pH 6-8) 2.85 9.4 -40.09 2 6 1 65 378.843 2

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

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