UCSF

ZINC40905749

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.15 4.54 -39.86 3 3 1 46 250.362 4
Hi High (pH 8-9.5) 3.15 5.3 -32.61 2 3 0 49 249.354 4

Activity (Go SEA)

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