UCSF

ZINC39355707

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 37 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) 4.58 13.97 -103.96 2 7 2 82 524.061 6
Hi High (pH 8-9.5) 4.58 11.94 -34.72 1 7 1 81 523.053 6

Activity (Go SEA)

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