UCSF

ZINC39387139

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 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) 1.05 3.2 -103.45 4 2 2 33 144.262 3
Hi High (pH 8-9.5) 1.05 1.76 -33.41 3 2 1 29 143.254 3

Activity (Go SEA)

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