UCSF

ZINC41584972

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.74 10.81 -52.87 2 7 1 77 487.576 7
Hi High (pH 8-9.5) 4.74 9.1 -45.02 0 7 -1 78 485.56 7
Mid Mid (pH 6-8) 4.74 8.52 -13.41 1 7 0 75 486.568 7
Mid Mid (pH 6-8) 4.74 10.77 -52.36 2 7 1 77 487.576 7

Activity (Go SEA)

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