UCSF

ZINC34614279

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 0.96 5.61 -45.61 0 3 -1 57 193.222 1
Lo Low (pH 4.5-6) 0.38 5.6 -10.43 0 3 0 51 194.23 2

Activity (Go SEA)

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