UCSF

ZINC39752892

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 37 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) 4.22 8.14 -25.83 2 13 0 189 500.427 8
Hi High (pH 8-9.5) 4.29 5.49 -53.86 1 13 -1 195 499.419 8

Activity (Go SEA)

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