UCSF

ZINC43894157

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.01 9.14 -122.37 3 3 2 34 277.456 6
Hi High (pH 8-9.5) 3.01 8.52 -35.7 2 3 1 29 276.448 6
Hi High (pH 8-9.5) 3.01 7.35 -37.24 2 3 1 33 276.448 6

Activity (Go SEA)

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