UCSF

ZINC43416923

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.43 3.38 -52.48 3 5 1 78 300.448 9
Lo Low (pH 4.5-6) 0.43 3.76 -92.9 4 5 2 79 301.456 9

Activity (Go SEA)

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