UCSF

ZINC96170803

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2014 28 No

CAS Number: 103478-62-2

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) 2.76 14.65 -32.63 1 5 0 71 381.472 9
Hi High (pH 8-9.5) 2.76 12.61 -49.68 0 5 -1 70 380.464 9

Vendor Notes

Note Type Comments Provided By
Melting_Point 113-116? Alfa-Aesar

Activity (Go SEA)

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

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