UCSF

ZINC87492896

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 17 No

Other Names:

MFCD08436199

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.25 3.26 -8.51 2 3 0 58 250.681 2
Mid Mid (pH 6-8) 2.25 3.91 -45.45 1 3 -1 60 249.673 2

Activity (Go SEA)

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

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