UCSF

ZINC43191082

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 30 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) 4.76 12.45 -42.46 1 5 1 56 411.566 12
Hi High (pH 8-9.5) 4.76 10.09 -12.31 0 5 0 55 410.558 12

Activity (Go SEA)

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