UCSF

ZINC39118727

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 10 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) 0.22 0.13 -39.67 4 2 1 48 142.222 1
Hi High (pH 8-9.5) 0.22 -0.27 -3.08 3 2 0 46 141.214 1

Activity (Go SEA)

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