UCSF

ZINC05822106

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 21 Yes

CAS Numbers: 29450-45-1 , [29450-45-1]

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) 6.10 3.68 -6.92 0 3 0 35 312.837 10

Activity (Go SEA)

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