UCSF

ZINC55085205

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 21 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) 1.48 3.92 -42.96 2 6 1 67 313.447 5
Mid Mid (pH 6-8) 1.48 2.07 -9.09 1 6 0 66 312.439 5

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

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