UCSF

ZINC31977460

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) 2.16 6.7 -115.33 1 4 -2 69 249.291 3
Mid Mid (pH 6-8) 2.16 6.23 -65.64 1 4 -1 69 250.299 3

Activity (Go SEA)

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