UCSF

ZINC41540038

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 25 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) 1.24 5.07 -56.31 0 6 -1 83 341.318 4
Lo Low (pH 4.5-6) 1.24 4.33 -17.66 1 6 0 80 342.326 4

Activity (Go SEA)

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