UCSF

ZINC23991836

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2009 26 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) 2.32 6.1 -10.36 2 8 0 97 367.446 9
Mid Mid (pH 6-8) 2.32 8.17 -41.52 3 8 1 98 368.454 9

Activity (Go SEA)

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