UCSF

ZINC31962164

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) -0.34 1.78 -50.38 4 7 1 91 297.379 9
Mid Mid (pH 6-8) -0.34 1.46 -16.84 3 7 0 90 296.371 9

Activity (Go SEA)

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