UCSF

ZINC57925563

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 26 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) 2.77 3.71 -13.37 2 6 0 85 394.415 9
Hi High (pH 8-9.5) 2.95 2.03 -38.98 1 6 -1 91 393.407 9

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

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