UCSF

ZINC05934906

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 13 No

Popular Name: 1a,2,3,7b-Tetrahydronaphth(1,2-b)oxirene-2,3-diol (1a-alpha,2-alpha,3-beta,7b-alpha)-; BRN 4136738; LS-95708; Naphth(1,2-b)oxirene-2,3-diol, 1a,2,3,7b-tetrahydro-, (1a-alpha,2-alpha,3-beta,7b-alpha)-; Naphthalene-1,2-diol-3,4-epoxide, syn 1a,2,3,7b-Tetrahydronaphth(1,2-b…

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) 0.08 -1 -7.54 2 3 0 53 178.187 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0686153A1; EP0686153B1; US5637738 IBM Patent Data

Activity (Go SEA)

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