UCSF

ZINC22107746

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 2.63 6.1 -28.33 2 2 1 16 284.221 2
Lo Low (pH 4.5-6) 2.63 5.65 -35.23 2 2 1 20 284.221 2

Activity (Go SEA)

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