UCSF

ZINC34587071

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 33 Yes

CAS Number: 848942-61-0

Other Names:

N/A

Sapitinib

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) 3.32 10.42 -49.55 3 8 1 90 474.944 7
Hi High (pH 8-9.5) 3.32 8.25 -15.1 2 8 0 89 473.936 7

Vendor Notes

Note Type Comments Provided By
Target EGFR, HER2 Selleck Chemicals

Activity (Go SEA)

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