UCSF

ZINC17988506

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 36 No

Other Names:

MFCD03941038

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) 5.76 13.98 -12.56 1 5 0 66 492.497 5
Ref Reference (pH 7) 5.76 13.53 -11.08 1 5 0 66 492.497 5

Activity (Go SEA)

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

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