UCSF

ZINC95068043

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2013 33 Yes

CAS Number: 109425-55-0

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) 4.21 9.79 -61.56 2 8 -1 117 451.499 9

Vendor Notes

Note Type Comments Provided By
Melting_Point 111-115? Alfa-Aesar

Activity (Go SEA)

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

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