UCSF

ZINC20174158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 17 Yes

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) 4.05 7.44 -6.41 1 2 0 36 248.757 3
Mid Mid (pH 6-8) 4.05 8.57 -50.7 2 2 1 40 249.765 3

Activity (Go SEA)

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