UCSF

ZINC37023905

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.28 1.36 -92.83 5 5 2 70 255.362 2
Hi High (pH 8-9.5) -0.09 0.03 -61.27 4 5 1 77 254.354 2

Activity (Go SEA)

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