UCSF

ZINC05997863

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 28 Yes

Popular Name: 123898-42-0; C11721; Candoxatrilat 123898-42-0; C11721; Candoxatrilat

Find On: PubMed — Wikipedia — Google

CAS Number: 123898-42-0

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) 1.45 -1.19 -121.16 1 8 -2 127 397.468 11 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5030654; US5192800 IBM Patent Data

Activity (Go SEA)

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

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