UCSF

ZINC06660303

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 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) 1.13 8.23 -41.94 3 5 1 61 248.354 4
Lo Low (pH 4.5-6) 1.13 8.51 -85.57 4 5 2 62 249.362 4
Lo Low (pH 4.5-6) 1.13 4.78 -77.3 4 5 2 62 249.362 4

Activity (Go SEA)

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