UCSF

ZINC04858226

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 22 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) 1.93 5.68 -16.33 2 6 0 84 298.346 6
Lo Low (pH 4.5-6) 1.93 5.45 -35.61 3 6 1 85 299.354 6

Activity (Go SEA)

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