UCSF

ZINC36757753

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 26 Yes

Popular Name: (2E,4Z)-3-methyl-5-[(1S,2S)-2-methyl-2-(1,1,4,4-tetramethyltetralin-6-yl)cyclopropyl]penta-2,4-dieno (2E,4Z)-3-methyl-5-[(1S,2S)-2-me…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 6.43 14.81 -50.56 0 2 -1 40 351.51 4 ↓
Lo Low (pH 4.5-6) 6.43 12.77 -4.45 1 2 0 37 352.518 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999008992A1 IBM Patent Data

Activity (Go SEA)

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