UCSF

ZINC02547595

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 6-Hydroxyindolin-2-one 6-Hydroxyindolin-2-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6855-48-7 , [6855-48-7]

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) 0.60 0.09 -7.8 2 3 0 49 149.149 0 ↓
Hi High (pH 8-9.5) 1.56 -1.24 -43.27 2 3 -1 59 148.141 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US6114371; WO1999061422A1; WO2000008202A2 IBM Patent Data

Activity (Go SEA)

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