UCSF

ZINC59947056

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 14 Yes

Popular Name: Bornylacetate Bornylacetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 20347-65-3 , 76-49-3

Other Names:

(+)-Bornylacetate

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) 2.88 7.53 -46.86 0 2 -1 40 195.282 2 ↓
Lo Low (pH 4.5-6) 2.88 5.53 -4.58 1 2 0 37 196.29 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0319316A2 IBM Patent Data

Activity (Go SEA)

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

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