UCSF

ZINC04716419

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 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) 1.72 6.09 -43.68 2 3 1 38 249.378 6
Lo Low (pH 4.5-6) 1.72 6.37 -93.34 3 3 2 39 250.386 6

Activity (Go SEA)

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