UCSF

ZINC19933736

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 21 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) 0.73 3.43 -106.61 4 5 2 54 295.427 7
Mid Mid (pH 6-8) 0.73 3.39 -85.43 4 5 2 54 295.427 7
Mid Mid (pH 6-8) 0.73 1.05 -47.76 3 5 1 53 294.419 7

Activity (Go SEA)

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