UCSF

ZINC30731174

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 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) 1.94 5.29 -45.42 0 2 -1 40 161.246 6
Lo Low (pH 4.5-6) 1.94 4.17 -8.01 1 2 0 37 162.254 6

Activity (Go SEA)

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