UCSF

ZINC42169752

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 20 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) 0.41 0.28 -44.85 4 7 1 95 281.336 2
Hi High (pH 8-9.5) 0.60 -2.36 -65.55 3 7 0 101 280.328 2

Activity (Go SEA)

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