UCSF

ZINC00002107

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: INN INN

Find On: PubMed — Wikipedia — Google

CAS Number: 632-00-8

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) 1.25 0.47 -45.21 2 5 -1 87 268.343 3 ↓
Lo Low (pH 4.5-6) 1.25 0.05 -10.98 3 5 0 85 269.351 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0786999A1; EP0792371A1; EP0852494A2; EP0852499A1; EP0885199A1; EP1021204A2; EP1054998A1; US5446070; US5543417; US5646151; US5656286; US5668134; US5688955; US5719197; US5744458; US5763445; US5795909; US5847150; US5849761; US5945443; US5968253; US5981513 IBM Patent Data

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

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