UCSF

ZINC02343370

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 36 No

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) 3.58 8.52 -37.77 4 12 1 151 514.929 9
Mid Mid (pH 6-8) 3.58 6.03 -12.8 3 12 0 150 513.921 9

Activity (Go SEA)

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