UCSF

ZINC05360928

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 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) 2.05 10.77 -16.31 0 8 0 88 360.345 5
Mid Mid (pH 6-8) 2.05 11.25 -53.97 1 8 1 89 361.353 5

Activity (Go SEA)

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