UCSF

ZINC22075958

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 19 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) 0.50 2.35 -115.44 5 5 2 72 270.373 10
Lo Low (pH 4.5-6) 0.50 0.9 -40.22 4 5 1 67 269.365 10

Activity (Go SEA)

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