UCSF

ZINC13213244

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 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) 2.70 5.8 -7.96 0 2 0 16 186.258 1
Lo Low (pH 4.5-6) 2.70 6.09 -26.94 1 2 1 17 187.266 1

Activity (Go SEA)

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