UCSF

ZINC40052913

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 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) 1.46 5.76 -57.47 1 10 -1 145 439.4 7
Lo Low (pH 4.5-6) 1.46 5.01 -19.2 2 10 0 142 440.408 7

Activity (Go SEA)

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