UCSF

ZINC19811351

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 31 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) 5.26 10.65 -16.23 2 6 0 88 472.353 6
Mid Mid (pH 6-8) 5.26 11.45 -54.31 1 6 -1 91 471.345 6

Activity (Go SEA)

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