UCSF

ZINC39133116

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 10 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) -0.21 -1.01 -9.77 2 4 0 58 162.576 2
Hi High (pH 8-9.5) -0.02 -3.67 -39.92 1 4 -1 65 161.568 2

Activity (Go SEA)

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