UCSF

ZINC22166150

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) 1.25 6.49 -64.37 0 4 -1 60 224.28 3
Lo Low (pH 4.5-6) 1.25 5.36 -13.36 1 4 0 58 225.288 3

Activity (Go SEA)

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