UCSF

ZINC06689049

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 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) 3.50 10.98 -7.72 1 5 0 50 328.46 6
Mid Mid (pH 6-8) 3.50 10.79 -29.46 2 5 1 51 329.468 6

Activity (Go SEA)

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