UCSF

ZINC19594540

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 16 No

Popular Name: (H-CYS-OME)2 2HCL (H-CYS-OME)2 2HCL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 32854-09-4 , [32854-09-4]

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) -1.21 1.73 -42.59 5 6 1 106 269.368 9 ↓
Mid Mid (pH 6-8) -1.21 1.78 -7.79 4 6 0 105 268.36 9 ↓

Vendor Notes

Note Type Comments Provided By
MP 182-183 °C (dec.)(lit.) Indofine
PUBCHEM_PATENT_ID EP0463514A1; EP0463514B1; US5889050 IBM Patent Data

Activity (Go SEA)

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

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