UCSF

ZINC34571429

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 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) 1.72 5.81 -11.75 3 5 0 75 331.46 9
Mid Mid (pH 6-8) 1.72 6.07 -45.42 4 5 1 77 332.468 9

Activity (Go SEA)

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