UCSF

ZINC39166306

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2010 13 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) 2.07 4.25 -5.7 3 3 0 55 173.219 1
Lo Low (pH 4.5-6) 2.07 4.41 -32.36 4 3 1 56 174.227 1

Activity (Go SEA)

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