UCSF

ZINC41666866

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.54 12.99 -15.08 0 6 0 69 469.965 9
Mid Mid (pH 6-8) 5.54 15.87 -56.78 1 6 1 70 470.973 9

Activity (Go SEA)

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