UCSF

ZINC34867138

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 34 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) 5.57 12.09 -48.36 3 6 1 75 456.566 6
Mid Mid (pH 6-8) 5.57 10.77 -10.06 2 6 0 71 455.558 6

Activity (Go SEA)

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