UCSF

ZINC40125321

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 27 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) 4.38 8.04 -54.84 1 4 -1 69 366.412 4
Lo Low (pH 4.5-6) 4.38 7.27 -10.59 2 4 0 66 367.42 4

Activity (Go SEA)

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