UCSF

ZINC39293713

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 10 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) 0.36 0.02 -27.38 5 4 1 75 140.166 1
Hi High (pH 8-9.5) 0.36 -0.46 -6.19 4 4 0 74 139.158 1

Activity (Go SEA)

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