UCSF

ZINC40036778

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 34 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) 6.84 17.68 -12.06 1 5 0 59 493.438 5
Lo Low (pH 4.5-6) 6.84 18.13 -34.27 2 5 1 61 494.446 5

Activity (Go SEA)

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