UCSF

ZINC41532219

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 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) 1.79 8.55 -56.88 0 8 -1 119 353.31 5
Lo Low (pH 4.5-6) 1.79 7.66 -16.7 1 8 0 117 354.318 5

Activity (Go SEA)

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