UCSF

ZINC06689247

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 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) 3.79 10.03 -44.94 2 3 1 34 304.845 5
Mid Mid (pH 6-8) 3.79 10.5 -116.92 3 3 2 36 305.853 5

Activity (Go SEA)

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