UCSF

ZINC19852627

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 25 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) 3.22 10.73 -105.39 4 3 2 35 339.527 8
Mid Mid (pH 6-8) 3.22 10.35 -132.97 4 3 2 35 339.527 8
Mid Mid (pH 6-8) 3.22 8.42 -43.48 3 3 1 34 338.519 8

Activity (Go SEA)

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