UCSF

ZINC40124095

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 35 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) 5.46 10.19 -56.37 1 7 -1 97 480.581 13
Lo Low (pH 4.5-6) 5.46 9.43 -15.61 2 7 0 94 481.589 13

Activity (Go SEA)

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