UCSF

ZINC96167625

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2014 18 Yes

CAS Number: 1676-73-9

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) -0.94 5.01 -40.93 3 5 0 86 253.298 9
Hi High (pH 8-9.5) -0.94 4.74 -44.46 2 5 -1 85 252.29 9

Vendor Notes

Note Type Comments Provided By
Melting_Point 162-165? Alfa-Aesar
Melting_Point 162-165° Alfa-Aesar

Activity (Go SEA)

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

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