UCSF

ZINC04822466

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 20 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) -0.19 -3.85 -12.51 5 8 0 127 345.153 2
Lo Low (pH 4.5-6) -0.19 -3.58 -34.03 6 8 1 128 346.161 2
Lo Low (pH 4.5-6) -0.19 -7.97 -33.33 6 8 1 128 346.161 2

Activity (Go SEA)

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