UCSF

ZINC28826383

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 26 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) 2.93 7.32 -60.9 4 5 1 82 348.426 8
Mid Mid (pH 6-8) 2.93 5.9 -19.12 3 5 0 77 347.418 8

Activity (Go SEA)

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