UCSF

ZINC59093670

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 18 No

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Annotations

Vendors

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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) 3.91 6.5 -4.46 2 3 0 44 251.37 9
Lo Low (pH 4.5-6) 3.91 6.36 -42.28 3 3 1 46 252.378 9

Activity (Go SEA)

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