UCSF

ZINC17976072

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 31 No

Other Names:

MFCD01362129

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) 3.58 11.73 -12.24 0 7 0 90 419.433 7
Ref Reference (pH 7) 3.58 11.73 -12.2 0 7 0 90 419.433 7

Activity (Go SEA)

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

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