UCSF

ZINC20100482

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.88 6.39 -44.24 2 5 1 46 364.485 7
Mid Mid (pH 6-8) 1.88 8.73 -92.97 3 5 2 47 365.493 7

Activity (Go SEA)

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