UCSF

ZINC34866128

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) 2.45 7.35 -10.52 2 6 0 80 354.797 5
Lo Low (pH 4.5-6) 2.45 7.59 -39.41 3 6 1 81 355.805 5

Activity (Go SEA)

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