UCSF

ZINC40036891

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 36 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) 6.44 17.79 -13.29 1 6 0 69 482.628 8
Lo Low (pH 4.5-6) 6.44 18.25 -25.89 2 6 1 70 483.636 8

Activity (Go SEA)

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