UCSF

ZINC04899709

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 12 Yes

CAS Numbers: 52661-97-9 , [52661-97-9]

Other Names:

MFCD00237607

SS-2851

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) -1.61 -1.55 -44.81 2 6 -1 98 171.132 2
Lo Low (pH 4.5-6) -1.61 -3.54 -11.68 3 6 0 95 172.14 2

Activity (Go SEA)

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