UCSF

ZINC37004791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 No

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) 1.37 4.69 -9.14 1 4 0 45 227.695 4
Mid Mid (pH 6-8) 1.37 5.04 -32.79 2 4 1 46 228.703 4

Activity (Go SEA)

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