UCSF

ZINC35433757

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 19 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) 1.27 6.6 -44.76 2 5 1 45 261.349 2
Hi High (pH 8-9.5) 1.27 4.61 -12.31 1 5 0 44 260.341 2
Lo Low (pH 4.5-6) 1.27 7.08 -81.38 3 5 2 46 262.357 2

Activity (Go SEA)

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