UCSF

ZINC34617245

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 5 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) 0.00 -0.73 -9.01 0 3 0 32 72.067 1
Lo Low (pH 4.5-6) 0.00 0.42 -16.31 1 3 0 37 73.075 1

Activity (Go SEA)

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