UCSF

ZINC59417338

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 25 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) 3.60 7.69 -7.33 1 6 0 81 409.28 7
Mid Mid (pH 6-8) 4.06 5.26 -42.79 0 6 -1 84 408.272 7

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

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