UCSF

ZINC39338628

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 11 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) 2.26 3.79 -5.21 1 2 0 25 170.281 2
Lo Low (pH 4.5-6) 2.26 4.24 -22.6 2 2 1 26 171.289 2

Activity (Go SEA)

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