UCSF

ZINC49569786

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 No

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) 2.93 9.85 -45.73 1 3 1 22 290.818 3
Hi High (pH 8-9.5) 2.93 7.34 -6.91 0 3 0 21 289.81 3
Lo Low (pH 4.5-6) 2.93 10.29 -89.06 2 3 2 24 291.826 3

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

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