UCSF

ZINC59332768

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 19 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) 2.82 5.7 -48.58 3 3 1 44 264.437 10
Mid Mid (pH 6-8) 2.82 6.39 -94.35 4 3 2 45 265.445 10
Lo Low (pH 4.5-6) 2.82 7.87 -125.76 4 3 2 45 265.445 10

Activity (Go SEA)

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