UCSF

ZINC48967467

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 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) 0.09 4.98 -21.64 0 7 0 77 292.368 6
Lo Low (pH 4.5-6) 0.09 5.41 -45.87 1 7 1 78 293.376 6

Activity (Go SEA)

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