UCSF

ZINC42442849

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.45 2.85 -47.61 4 4 1 60 258.43 9
Hi High (pH 8-9.5) 1.45 4.45 -32.84 4 4 1 60 258.43 9

Activity (Go SEA)

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