UCSF

ZINC45694234

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 1.29 6.52 -92.8 5 4 2 59 250.39 7
Mid Mid (pH 6-8) 1.29 6.58 -32.16 4 4 1 58 249.382 7

Activity (Go SEA)

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