UCSF

ZINC80053764

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2012 32 Yes

CAS Number: 71989-18-9

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) 4.98 13.64 -55.72 1 7 -1 105 438.5 11

Vendor Notes

Note Type Comments Provided By
Melting_Point 83-90? Alfa-Aesar
Melting_Point 83-90° Alfa-Aesar

Activity (Go SEA)

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

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