UCSF

ZINC05211878

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 27 No

Popular Name: 10,13-dimethyl-3-tetrahydropyran-2-yloxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenan 10,13-dimethyl-3-tetrahydropyran…

Find On: PubMed — Wikipedia — Google

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) 4.73 0.95 -6.59 0 3 0 35 372.549 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4560557 IBM Patent Data

Activity (Go SEA)

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