UCSF

ZINC60247659

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 18 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) -0.26 3.34 -21.22 2 6 0 84 250.233 2
Hi High (pH 8-9.5) 0.20 1.27 -54.08 1 6 -1 87 249.225 2

Activity (Go SEA)

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