UCSF

ZINC34868788

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 37 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) 5.18 13.54 -18.91 0 6 0 47 516.041 6
Mid Mid (pH 6-8) 5.18 15.74 -61.72 1 6 1 48 517.049 6

Activity (Go SEA)

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