UCSF

ZINC17975626

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 23 No

Other Names:

MFCD00761505

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) 2.48 9.56 -10.73 0 5 0 58 314.385 3
Ref Reference (pH 7) 2.48 10.25 -11.03 0 5 0 58 314.385 3

Activity (Go SEA)

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

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