UCSF

ZINC34667157

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 21 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) 2.35 2.72 -8.56 1 4 0 42 301.333 6
Mid Mid (pH 6-8) 2.35 5 -45.33 2 4 1 43 302.341 6

Activity (Go SEA)

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