UCSF

ZINC43214247

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 17 Yes

Other Names:

MFCD09801834

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) 3.05 9.03 -45.22 0 3 -1 57 233.287 5
Lo Low (pH 4.5-6) 3.05 7.05 -5.91 1 3 0 54 234.295 5

Activity (Go SEA)

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