UCSF

ZINC56898735

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 41 No

Popular Name: Tocophersolan Tocophersolan

Find On: PubMed — Wikipedia — Google

CAS Number: 9002-96-4

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) 8.57 19.16 -11.24 1 6 0 82 574.843 20 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0880352A2; EP0880352B1 IBM Patent Data

Activity (Go SEA)

Rings

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

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