UCSF

ZINC54965048

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 21 Yes

Other Names:

MFCD01076278

N/A

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) 0.81 7.16 -36.42 3 5 0 94 297.326 7
Mid Mid (pH 6-8) 0.81 6.88 -51.58 2 5 -1 92 296.318 7

Activity (Go SEA)

Rings

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

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