UCSF

ZINC20016604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 18 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) 1.04 6.18 -9.77 2 7 0 85 249.274 3
Lo Low (pH 4.5-6) 1.04 6.49 -50.74 3 7 1 89 250.282 3

Activity (Go SEA)

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