UCSF

ZINC56696660

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 23 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) 2.05 7.19 -60.65 0 4 -1 36 326.445 4
Mid Mid (pH 6-8) 1.32 7.63 -32.72 1 4 0 39 327.453 4
Lo Low (pH 4.5-6) 1.32 9.85 -63.78 2 4 1 41 328.461 4

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

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