UCSF

ZINC20064884

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 24 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) 3.45 7.65 -43.35 3 4 1 46 340.472 2
Mid Mid (pH 6-8) 3.45 5.19 -14.66 2 4 0 44 339.464 2

Activity (Go SEA)

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