UCSF

ZINC20093325

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 2.92 6.34 -61.84 3 3 1 46 340.266 5
Hi High (pH 8-9.5) 2.92 4.92 -11.58 2 3 0 41 339.258 5

Activity (Go SEA)

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