UCSF

ZINC20442569

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 2.54 7.33 -26.83 1 7 0 69 394.475 7
Mid Mid (pH 6-8) 2.54 7.73 -37.41 2 7 1 70 395.483 7

Activity (Go SEA)

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