UCSF

ZINC34611457

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 0.17 3.26 -11.39 5 10 0 166 483.558 7
Mid Mid (pH 6-8) 0.17 3.67 -54.31 6 10 1 167 484.566 7

Activity (Go SEA)

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