UCSF

ZINC12359383

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 22 Yes

CAS Number: 59-14-3

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) 1.16 -5.21 -13.99 3 7 0 105 377.235 2

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 190? dec. Alfa-Aesar
Melting_Point ca 190° dec. Alfa-Aesar

Activity (Go SEA)

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