UCSF

ZINC43390322

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 1.61 5.05 -62.27 3 3 1 44 294.781 5
Lo Low (pH 4.5-6) 1.61 6.76 -141.22 4 3 2 45 295.789 5

Activity (Go SEA)

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