UCSF

ZINC45694530

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 1.43 3.59 -34.94 4 5 1 73 292.403 5
Mid Mid (pH 6-8) 1.43 5.58 -82.79 5 5 2 75 293.411 5

Activity (Go SEA)

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