UCSF

ZINC13275910

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 29 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) 2.89 9.92 -128.4 0 7 -2 110 391.379 6
Mid Mid (pH 6-8) 2.30 8.98 -74.22 0 7 -1 104 392.387 6
Mid Mid (pH 6-8) 2.89 7.68 -82.14 1 7 -1 107 392.387 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.