UCSF

ZINC40019455

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 39 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) 7.50 17.06 -76.75 1 6 0 74 534.741 15
Lo Low (pH 4.5-6) 7.50 16.31 -52.84 2 6 1 71 535.749 15

Activity (Go SEA)

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