UCSF

ZINC34826329

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 14 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) 3.38 2.7 -38.07 0 3 -1 39 225.68 1
Lo Low (pH 4.5-6) 2.65 3.24 -6.83 1 3 0 42 226.688 1

Activity (Go SEA)

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