UCSF

ZINC39049021

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 10 Yes

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Vendors

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) 0.91 5.88 -35.45 2 2 1 30 133.174 1
Mid Mid (pH 6-8) 0.91 5.4 -6.92 1 2 0 29 132.166 1
Mid Mid (pH 6-8) 0.91 5.41 -9.21 1 2 0 29 132.166 1

Activity (Go SEA)

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