UCSF

ZINC62969625

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 0.44 4.38 -36.61 4 6 1 67 279.412 3
Hi High (pH 8-9.5) 0.26 1.83 -6.37 3 6 0 62 278.404 4
Mid Mid (pH 6-8) 0.44 4.17 -79.1 5 6 2 68 280.42 3
Lo Low (pH 4.5-6) 0.26 4.36 -73.33 5 6 2 65 280.42 4

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

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