UCSF

ZINC83921432

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2013 36 No

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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) 3.42 4.14 -37.93 4 8 1 94 483.548 2
Mid Mid (pH 6-8) 3.42 4.42 -15.49 3 8 0 90 482.54 2

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

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