UCSF

ZINC03894864

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 20 Yes

CAS Numbers: 602-56-2 , [602-56-2]

Other Names:

MFCD00092562

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) 5.49 0.85 -8.32 0 1 0 12 255.32 1
Lo Low (pH 4.5-6) 5.49 0.89 -22.96 1 1 1 14 256.328 1

Vendor Notes

Note Type Comments Provided By
MP 184 TCI

Activity (Go SEA)

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