UCSF

ZINC27742050

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 22 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) 1.43 3.8 -54.56 1 8 -1 115 337.362 2
Lo Low (pH 4.5-6) -0.15 4.05 -19.6 1 8 0 109 338.37 2

Activity (Go SEA)

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