UCSF

ZINC65162662

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 27 Yes

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) 2.61 8.27 -14.17 1 7 0 80 388.493 8
Mid Mid (pH 6-8) 3.07 7.69 -46.02 0 7 -1 83 387.485 8
Mid Mid (pH 6-8) 3.07 9.81 -47.26 1 7 0 84 388.493 8

Activity (Go SEA)

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

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