UCSF

ZINC04876010

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 29 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) 4.45 9.69 -15.64 1 6 0 64 411.527 8
Lo Low (pH 4.5-6) 4.45 10.02 -32.19 2 6 1 65 412.535 8

Activity (Go SEA)

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