UCSF

ZINC44363966

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 16 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) 2.17 5.52 -32.09 2 3 1 26 227.372 7
Lo Low (pH 4.5-6) 2.17 6.45 -103.9 3 3 2 30 228.38 7

Activity (Go SEA)

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