UCSF

ZINC17654897

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2008 44 No

CAS Number: 354583-69-0

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) 4.68 24.86 -102.26 0 10 -1 134 650.855 34
Lo Low (pH 4.5-6) 4.68 22.89 -62.05 1 10 0 131 651.863 34

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.