UCSF

ZINC72283190

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2012 29 Yes

CAS Number: 67-97-0

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) 7.92 13.81 -2.1 1 1 0 20 398.675 6

Vendor Notes

Note Type Comments Provided By
Melting_Point 83-87? Alfa-Aesar
Melting_Point 83-87° Alfa-Aesar

Activity (Go SEA)

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

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