UCSF

ZINC39941412

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 12 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) -1.09 0.31 -47.69 4 2 1 48 168.191 0
Hi High (pH 8-9.5) -1.09 0.01 -5.46 3 2 0 46 167.183 0

Activity (Go SEA)

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