UCSF

ZINC22056306

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 28 Yes

Popular Name: Endoxifen Endoxifen

Find On: PubMed — Wikipedia — Google

CAS Numbers: 110025-28-0 , 112093-28-4 , 114828-90-9 , [112093-28-4]

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) 5.34 10.85 -43.28 3 3 1 46 374.504 8 ↓
Hi High (pH 8-9.5) 5.34 9.33 -8.01 2 3 0 41 373.496 8 ↓

Activity (Go SEA)

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