UCSF

ZINC00967813

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 11 Yes

CAS Numbers: 5524-05-0 , 7764-50-3 , [7764-50-3]

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) 2.46 2.37 -4.69 0 1 0 17 152.237 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 87 - 88 (p=6 torr) Acros Organics
UniProt Database Links MLHB_RHOER ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Patent Database Links WO2005014569 ChEBI

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