UCSF

ZINC39366174

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 14 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) 2.36 3.67 -28.18 2 2 1 25 198.33 2
Hi High (pH 8-9.5) 2.36 2.57 -2.24 1 2 0 23 197.322 2

Activity (Go SEA)

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