UCSF

ZINC37002677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.81 4.27 -9.05 1 4 0 42 296.798 5
Mid Mid (pH 6-8) 1.81 6.67 -45.01 2 4 1 43 297.806 5

Activity (Go SEA)

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