UCSF

ZINC20049371

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 18 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) 1.72 3.37 -61.79 5 5 1 89 291.158 5
Mid Mid (pH 6-8) 1.72 1.99 -22.04 4 5 0 84 290.15 5

Activity (Go SEA)

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