UCSF

ZINC43221053

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 35 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) -0.99 6.35 -44.85 3 12 0 179 483.433 5
Hi High (pH 8-9.5) -0.99 5.23 -51.97 2 12 -1 174 482.425 5

Activity (Go SEA)

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