UCSF

ZINC00967560

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 15 Yes

Popular Name: 3-Copaene 3-Copaene

Find On: PubMed — Wikipedia — Google

CAS Number: 3856-25-5

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) 5.75 2.6 -0.32 0 0 0 0 204.357 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0787176A1; EP0790820A1; EP0805673A1; EP0883399A1; EP0885279A1; EP0886516A1; EP0934067A1; EP0986367A1; EP1006994A1; EP1061890A1; US5009890; US5355718; US5385733; US5500137; US5500138; US5540853; US5591435; US5652206; US5668094; US5668207; US5780404; US58 IBM Patent Data

Activity (Go SEA)

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

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