UCSF

ZINC84843254

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2013 0 No

CAS Number: 4643-27-0

Download: MOL2 SDF SMILES Flexibase

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) 2.32 5.81 -5.07 0 1 0 17 126.199 4

Vendor Notes

Note Type Comments Provided By
Boiling_Point 65?/15mm Alfa-Aesar
Boiling_Point 65°/15mm Alfa-Aesar

Activity (Go SEA)

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

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