UCSF

ZINC14139826

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2008 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) 4.37 7.56 -48.49 1 7 -1 96 404.475 5
Mid Mid (pH 6-8) 3.91 8.96 -17.44 2 7 0 93 405.483 5

Activity (Go SEA)

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