UCSF

ZINC31947337

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 Yes

CAS Number: 3625-57-8

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) 3.98 5.97 -12.3 2 4 0 55 319.408 3

Vendor Notes

Note Type Comments Provided By
Melting_Point >300? dec. Alfa-Aesar
Melting_Point >300° dec. Alfa-Aesar

Activity (Go SEA)

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

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