UCSF

ZINC05781235

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 20 No

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) 0.38 3.3 -43.17 1 7 -1 109 296.328 5
Mid Mid (pH 6-8) 0.34 3.98 -15.55 2 7 0 108 297.336 5

Activity (Go SEA)

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