UCSF

ZINC40124464

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 27 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) 1.09 2.49 -58.05 3 7 -1 122 369.328 6
Lo Low (pH 4.5-6) 1.09 1.73 -20.79 4 7 0 119 370.336 6

Activity (Go SEA)

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