UCSF

ZINC05818933

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 19 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) -0.30 5.77 -34.35 3 5 0 85 261.256 2
Mid Mid (pH 6-8) -0.30 6.23 -83.12 4 5 1 87 262.264 2

Activity (Go SEA)

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