UCSF

ZINC41541988

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 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) 3.61 11.38 -68.76 1 6 0 74 434.536 8
Lo Low (pH 4.5-6) 3.61 10.62 -46.57 2 6 1 71 435.544 8

Activity (Go SEA)

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