UCSF

ZINC20192277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 30 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) 5.43 11.09 -10.46 1 5 0 45 450.41 8
Mid Mid (pH 6-8) 5.43 13.42 -52.32 2 5 1 46 451.418 8

Activity (Go SEA)

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