UCSF

ZINC04722860

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 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) 3.61 8.82 -58.8 4 7 1 78 396.515 5
Mid Mid (pH 6-8) 3.61 6.61 -17.78 3 7 0 77 395.507 5

Activity (Go SEA)

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