UCSF

ZINC13741040

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 20 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) 2.33 3.02 -55.46 2 6 -1 100 294.356 4
Lo Low (pH 4.5-6) 2.33 3.03 -13.41 3 6 0 98 295.364 4

Activity (Go SEA)

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