UCSF

ZINC48656516

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 1.24 5.17 -12.78 1 5 0 54 249.314 4
Mid Mid (pH 6-8) 1.24 5.62 -34.63 2 5 1 56 250.322 4

Activity (Go SEA)

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