UCSF

ZINC17126743

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.17 -1.74 -11.8 4 8 0 119 237.219 1
Lo Low (pH 4.5-6) -1.17 -1.47 -37.74 5 8 1 121 238.227 1
Lo Low (pH 4.5-6) -1.17 -5.85 -34.75 5 8 1 121 238.227 1

Activity (Go SEA)

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