UCSF

ZINC00002146

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 20 Yes

Popular Name: INN INN

Find On: PubMed — Wikipedia — Google

CAS Number: 86-12-4

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) 3.76 10.55 -39.34 1 2 1 8 287.452 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 8.83e-02 g/l DrugBank-withdrawn
PUBCHEM_PATENT_ID EP0859616A1; EP0897264A1; EP0910362A1; EP0941077A1; EP1021204A2; EP1021435A1; EP1027032A1; EP1030659A1; EP1059912A2; US4168263; US4795643; US5446070; US5656286; US5658581; US5660839; US5714155; US5719197; US5744156; US5780424; US5795574; US5824650; US5834 IBM Patent Data

Activity (Go SEA)

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

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