UCSF

ZINC05868176

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 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) 3.92 10.22 -11.81 1 5 0 62 338.436 5
Mid Mid (pH 6-8) 3.92 10.12 -13.87 1 5 0 62 338.436 5

Activity (Go SEA)

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