UCSF

ZINC08214460

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 30 No

Popular Name: INN) INN)

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CAS Number: 1338-41-6

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) 7.23 7.39 -9.84 3 6 0 96 430.626 20 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0000809A1; EP0001097A2; EP0001397A1; EP0002085A2; EP0002368A1; EP0004108A1; EP0006298A1; EP0006348A1; EP0007259A1; EP0007595A1; EP0008830A1; EP0008839A1; EP0012436A1; EP0012499A1; EP0012503A1; EP0012587A1; EP0012699A1; EP0013079A1; EP0014421A1; EP001551 IBM Patent Data

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

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