UCSF

ZINC60020323

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 41 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) 6.16 13.08 -11.71 2 6 0 71 562.795 12
Mid Mid (pH 6-8) 6.16 15.34 -45.84 3 6 1 72 563.803 12
Lo Low (pH 4.5-6) 6.16 15.67 -89.96 4 6 2 77 564.811 12

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

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