UCSF

ZINC00428254

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 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) 1.19 4.27 -13.78 0 6 0 77 298.364 5
Lo Low (pH 4.5-6) 1.19 4.55 -48.44 1 6 1 78 299.372 5

Activity (Go SEA)

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