UCSF

ZINC40898180

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 30 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) 1.34 5.98 -103.43 8 6 2 113 412.578 13
Hi High (pH 8-9.5) 1.34 5.53 -47.85 7 6 1 112 411.57 13

Activity (Go SEA)

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