UCSF

ZINC39254610

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 14 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) 2.11 7.98 -97.16 0 4 -2 80 200.234 8
Lo Low (pH 4.5-6) 2.11 5.98 -50.27 1 4 -1 77 201.242 8

Activity (Go SEA)

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