UCSF

ZINC43994157

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 2.98 9.85 -103.78 3 3 2 36 281.403 5
Hi High (pH 8-9.5) 2.98 9.38 -52.53 2 3 1 34 280.395 5

Activity (Go SEA)

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