UCSF

ZINC76946038

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2012 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.28 7.24 -14.34 2 6 0 76 338.342 6
Mid Mid (pH 6-8) 2.28 7.69 -41.27 3 6 1 77 339.35 6

Activity (Go SEA)

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

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