UCSF

ZINC48633294

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 18 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) 3.33 5.23 -8.87 3 4 0 73 249.31 3
Hi High (pH 8-9.5) 3.33 6.23 -55.46 2 4 -1 75 248.302 3

Activity (Go SEA)

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