UCSF

ZINC01051780

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 13 Yes

CAS Numbers: 620-95-1 , [620-95-1]

Other Names:

MFCD00006408

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) 2.66 1.1 -5.09 0 1 0 13 169.227 2
Lo Low (pH 4.5-6) 2.66 1.21 -32.85 1 1 1 14 170.235 2

Vendor Notes

Note Type Comments Provided By
BP 288 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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