UCSF

ZINC58003417

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 14 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) -1.26 0.94 -17.29 2 7 0 108 218.238 3
Mid Mid (pH 6-8) -1.25 0.19 -49.1 1 7 -1 111 217.23 4

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

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