UCSF

ZINC31159341

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 32 No

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Annotations

Vendors

    None

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) -0.30 -7.57 -18.7 7 11 0 186 450.396 3
Hi High (pH 8-9.5) -0.30 -6.58 -57.58 6 11 -1 189 449.388 3

Activity (Go SEA)

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