UCSF

ZINC42028721

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.81 4.8 -22.28 3 8 0 109 357.345 3
Lo Low (pH 4.5-6) 1.27 2.16 -16.68 3 8 0 109 357.345 3

Activity (Go SEA)

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