UCSF

ZINC42868889

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 14 No

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) 0.05 4.89 -22.45 0 4 0 50 212.274 4
Hi High (pH 8-9.5) 0.79 3.75 -60.31 0 4 -1 56 211.266 3

Activity (Go SEA)

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