UCSF

ZINC31920861

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 3.93 9.2 -9.41 0 4 0 36 335.19 2
Lo Low (pH 4.5-6) 3.93 9.62 -32.79 1 4 1 37 336.198 2

Activity (Go SEA)

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