UCSF

ZINC14009751

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 29 No

Other Names:

MFCD03861869

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) 3.21 8.29 -12.81 2 6 0 84 396.418 7
Ref Reference (pH 7) 3.21 8.8 -11.84 2 6 0 84 396.418 7

Activity (Go SEA)

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

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