UCSF

ZINC20051681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 29 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) 2.46 8.33 -44.99 1 7 1 59 411.555 2
Mid Mid (pH 6-8) 2.46 5.85 -9.29 0 7 0 58 410.547 2

Activity (Go SEA)

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