UCSF

ZINC12358750

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 10 No

CAS Number: 100-02-7

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) 1.42 3.07 -31.71 0 4 -1 69 138.102 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 110-115? Alfa-Aesar
Melting_Point 110-115° Alfa-Aesar
Boiling_Point 279? dec. Alfa-Aesar
Boiling_Point 279° dec. Alfa-Aesar

Activity (Go SEA)

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