UCSF

ZINC23817840

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2009 27 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) 2.83 8.65 -45.77 3 5 1 62 364.469 6
Mid Mid (pH 6-8) 2.83 7.36 -12.8 2 5 0 57 363.461 6

Activity (Go SEA)

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