UCSF

ZINC19439938

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 19 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) -1.72 0.82 -20.92 4 5 0 89 261.325 3
Mid Mid (pH 6-8) -1.72 1.14 -57.77 5 5 1 91 262.333 3

Activity (Go SEA)

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