UCSF

ZINC22446680

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 30 Yes

Popular Name: NF) NF)

Find On: PubMed — Wikipedia — Google

CAS Number: 84-06-0

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) 5.00 12.84 -51.51 1 5 1 39 447.024 8 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0083032A2; EP0100424A2; EP0168277A1; EP0168277B2; EP0174342A1; EP0379044A1; EP0379044B1; EP0453517A1; EP0474647A1; EP0474647B1; EP0475160B1; EP0573576A1; EP0573576B1; EP0591432A1; EP0593746A1; EP0593746B1; EP0728477A2; EP0728477A3; EP0737066A1; EP081762 IBM Patent Data

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

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