UCSF

ZINC40110324

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 39 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) 7.10 15.12 -58.59 0 6 -1 79 530.616 13
Lo Low (pH 4.5-6) 7.10 14.37 -13.44 1 6 0 76 531.624 13

Activity (Go SEA)

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