UCSF

ZINC59211377

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 11 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) -1.57 -3.78 -33.23 2 5 0 97 158.133 2
Mid Mid (pH 6-8) -1.57 -5.72 -18.57 2 5 0 93 158.133 2
Lo Low (pH 4.5-6) -1.57 -4.33 -28.03 3 5 0 95 159.141 2

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

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