UCSF

ZINC00392013

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 15 Yes

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) 1.76 5.73 -43.58 3 3 1 54 208.281 5
Hi High (pH 8-9.5) 1.76 5.44 -4.1 2 3 0 52 207.273 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 160-162? Alfa-Aesar
Melting_Point 160-162° Alfa-Aesar

Activity (Go SEA)

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

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