UCSF

ZINC45699589

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 0.38 5.22 -164.96 5 4 3 46 248.435 10
Mid Mid (pH 6-8) 0.38 5.76 -92.37 4 4 2 49 247.427 10

Activity (Go SEA)

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