UCSF

ZINC22075423

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 17 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) 0.68 2.38 -111.35 5 4 2 63 240.347 9
Lo Low (pH 4.5-6) 0.68 0.97 -36.82 4 4 1 58 239.339 9

Activity (Go SEA)

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