UCSF

ZINC80053761

Substance Information

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

CAS Number: 71989-14-5

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) 4.71 12.87 -53.98 1 7 -1 105 424.473 10

Vendor Notes

Note Type Comments Provided By
Melting_Point 148-150? dec. Alfa-Aesar
Melting_Point 148-150° dec. Alfa-Aesar

Activity (Go SEA)

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

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