UCSF

ZINC12358965

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 9 Yes

CAS Number: 70-47-3

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) -3.65 -6.9 -82.29 6 5 1 105 135.143 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 234-236? dec. Alfa-Aesar
Melting_Point 234-236° dec. Alfa-Aesar

Activity (Go SEA)

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

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