UCSF

ZINC01529360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 25 No

CAS Number: 4587-33-1

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) 4.07 -0.33 -14.53 3 10 0 153 353.331 9

Vendor Notes

Note Type Comments Provided By
Mp [°C] 136 - 140 Acros Organics

Activity (Go SEA)

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