UCSF

ZINC00542768

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 4.22 10.77 -13.39 0 5 0 56 344.205 2
Mid Mid (pH 6-8) 4.22 11.46 -28.39 2 5 1 60 345.213 2

Activity (Go SEA)

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