UCSF

ZINC39255087

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 15 Yes

Other Names:

MFCD14601744

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) 1.56 5.16 -8.7 2 3 0 44 201.273 1
Lo Low (pH 4.5-6) 1.56 5.33 -23.07 3 3 1 45 202.281 1

Activity (Go SEA)

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