UCSF

ZINC08220828

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 7 No

Popular Name: Halothane Halothane

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CAS Number: 151-67-7

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) 2.56 3.87 -1.64 0 0 0 0 197.381 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.81e+00 g/l DrugBank-approved
Boiling_Point 49-50? Alfa-Aesar
Boiling_Point 49-50° Alfa-Aesar
therap anesthetic MicroSource Spectrum
PUBCHEM_PATENT_ID EP0210574A2; EP0210574B1; EP0221488A2; EP0236572A1; EP0253777A2; EP0253777B1; EP0260598A2; EP0260598B1; EP0305756A1; EP0305756B1; EP0307625B1; EP0338415A2; EP0338971A1; EP0338971B1; EP0359755A1; EP0359755B1; EP0387762A2; EP0451790A1; EP0455049A1; EP045504 IBM Patent Data
Reactome Database Links REACT_305 ChEBI
UniProt Database Links RYR1_HUMAN ChEBI
Patent Database Links US2007219221; US2008234257; US2008268071; WO2007100206; WO2008140859 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
CYP2E1 reactions

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