UCSF

ZINC40126098

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 33 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) 4.46 9.22 -60.64 1 6 -1 88 440.475 9
Lo Low (pH 4.5-6) 4.46 8.45 -17.57 2 6 0 85 441.483 9

Activity (Go SEA)

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