UCSF

ZINC20890202

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 26 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) 1.61 6.36 -22.35 1 7 0 82 375.45 5
Mid Mid (pH 6-8) 1.61 7.27 -44.81 2 7 1 84 376.458 5

Activity (Go SEA)

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