UCSF

ZINC41998599

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 20 No

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Annotations

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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) 0.80 3.99 -20.21 2 6 0 79 293.348 5
Mid Mid (pH 6-8) 0.99 1.37 -53.5 1 6 -1 85 292.34 5

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

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