UCSF

ZINC31489922

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 25 No

Download: MOL2 SDF SMILES Flexibase

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) -2.07 -0.79 -145.67 4 13 -2 201 375.234 5
Mid Mid (pH 6-8) -2.07 -1.94 -56.39 5 13 -1 198 376.242 5

Activity (Go SEA)

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