UCSF

ZINC43221268

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 33 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) 1.66 10.87 -46.25 3 7 0 114 450.535 5
Mid Mid (pH 6-8) 1.66 8.76 -49.29 2 7 -1 110 449.527 5
Mid Mid (pH 6-8) 1.66 9.86 -53.73 2 7 -1 110 449.527 5

Activity (Go SEA)

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