UCSF

ZINC01734352

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 15 Yes

Popular Name: Valencene Valencene

Find On: PubMed — Wikipedia — Google

CAS Number: 4630-07-3

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) 5.01 9.43 -0.4 0 0 0 0 204.357 1 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links AMO_ARTAN; OR19A_DROME; TPSVS_VITVI ChEBI
PUBCHEM_PATENT_ID EP0198351A2; EP0206738A2; EP0206739A2; EP0292046A2; EP0292047A2; EP0292047B1; EP0292048A2; EP0292048B1; EP0296144A1; EP0357130A2; EP0357130B1; EP0810986B1; EP0824346A2; EP1033076A1; US4126709; US4195080; US4647466; US4693905; US4818555; US4889739; US49389 IBM Patent Data

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

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