UCSF

ZINC04084618

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 29 No

Popular Name: Ergosterol Ergosterol

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CAS Number: 57-87-4

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 7.18 13.2 -2.1 1 1 0 20 396.659 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 154-160? Alfa-Aesar
Melting_Point 154-160° Alfa-Aesar
Mp [°C] 156 - 158 Acros Organics
BP [°C] 250 (p=0.01 torr) Acros Organics
Purity 95% Fluorochem
UniProt Database Links ADY2_YEAST; CP51_ASHGO; CP51_CANAL; CP51_CANGA; CP51_CANTR; CP51_CUNEL; CP51_DICDI; CP51_ISSOR; CP51_MYCBO; CP51_MYCTU; CP51_MYCVP; CP51_SCHPO; CP51_TRYCC; CP51_UNCNE; CP51_USTMA; CP51_YEAST; DAP1_SCHPO; DET1_YEAST; DGAT2_ASHGO; DGAT2_YEAST; ERG28_ARATH ChEBI
PUBCHEM_PATENT_ID EP0548261B1 IBM Patent Data
Patent Database Links EP1525882; EP1616562; EP1632137; EP1806350; EP1810694; EP1857112; EP1985308; US2002098152; US2005256091; US2005277171; US2007190180; US2007190181; US2007190182; US2007197550; US2007218119; US2007254026; US2008070981; WO2007109801; WO2007124597; WO20071245 ChEBI
Target Others Selleck Chemicals
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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