UCSF

ZINC57352008

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 23 Yes

Other Names:

MFCD17780138

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) 0.47 6.45 -38.86 0 9 -1 115 309.265 3
Lo Low (pH 4.5-6) 0.47 6.96 -48.33 1 9 0 116 310.273 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.