UCSF

ZINC12358835

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 15 No

CAS Number: 10030-80-5

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) -1.74 -9.06 -8.59 5 6 0 110 222.237 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 129-131? Alfa-Aesar
Melting_Point 129-131° Alfa-Aesar

Activity (Go SEA)

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

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