UCSF

ZINC69870408

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 20 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) 3.55 4.56 -10.87 1 5 0 65 273.336 5
Mid Mid (pH 6-8) 3.55 6.82 -53.2 2 5 1 67 274.344 5

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

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