UCSF

ZINC43214150

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 20 Yes

Other Names:

MFCD09801732

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) 3.37 9.99 -50.06 0 4 -1 60 276.356 9
Lo Low (pH 4.5-6) 3.37 8.01 -11.63 1 4 0 58 277.364 9

Activity (Go SEA)

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