UCSF

ZINC12400950

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 32 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) 4.19 -2.89 -13.72 2 8 0 113 489.648 7
Lo Low (pH 4.5-6) 4.19 11.11 -41 3 8 1 114 490.656 7
Lo Low (pH 4.5-6) 4.19 11.08 -46.72 3 8 1 114 490.656 7

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

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