UCSF

ZINC31962243

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 0.27 1.71 -50.93 4 6 1 82 279.364 3
Mid Mid (pH 6-8) 0.27 1.39 -16 3 6 0 80 278.356 3

Activity (Go SEA)

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