UCSF

ZINC22015549

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 11 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) -1.02 -0.43 -90.24 5 3 2 47 159.277 4
Lo Low (pH 4.5-6) -1.02 0.48 -93.98 5 3 2 44 159.277 4

Activity (Go SEA)

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