UCSF

ZINC00155804

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 No

Popular Name: Hematoxylin Hematoxylin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 517-28-2 , CAS# 517-28-2 , [517-28-2]

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) 1.03 -3.66 -13.54 5 6 0 110 302.282 0 ↓
Hi High (pH 8-9.5) 1.03 -2.72 -53.36 4 6 -1 113 301.274 0 ↓
Hi High (pH 8-9.5) 1.03 -2.74 -54.39 4 6 -1 113 301.274 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 100 - 120 Acros Organics
PUBCHEM_PATENT_ID EP0040240A1; EP0107055A2; EP0151030A2; EP0151030B1; EP0260715A2; EP0397700A1; EP0397700B1; EP0422112A1; EP0422112B1; EP0509149B1; EP0630644A1; EP0671387B1; EP0914827A1; EP0951912A2; EP0967982A2; US3974041; US3997656; US4021572; US4232552; US4300557; US430 IBM Patent Data
PUBCHEM_PATENT_ID EP0796115A1; WO1996017633A1; WO1998058542A1; WO1999024584A1 IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

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