UCSF

ZINC43966547

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 2.25 7.57 -42.15 2 3 1 34 249.378 6
Hi High (pH 8-9.5) 2.25 5.1 -6.2 1 3 0 32 248.37 6

Activity (Go SEA)

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