UCSF

ZINC04935125

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 17 Yes

Other Names:

MFCD07395219

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) 3.36 7.87 -50.73 1 3 -1 52 246.311 4
Lo Low (pH 4.5-6) 3.36 5.87 -7.37 2 3 0 49 247.319 4

Activity (Go SEA)

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