UCSF

ZINC04935096

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 18 Yes

Other Names:

MFCD07395207

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) 2.32 6.38 -43.92 2 3 1 39 263.748 5
Lo Low (pH 4.5-6) 2.32 6.66 -104.82 3 3 2 40 264.756 5

Activity (Go SEA)

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