UCSF

ZINC00389555

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

CAS Numbers: 253-66-7 , 5949-24-6 , [253-66-7]

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) 1.21 0.79 -9.16 0 2 0 25 130.15 0

Vendor Notes

Note Type Comments Provided By
Patent Database Links EP0985662; EP1055668; EP1072576; EP1072601; EP1082323; EP1148059; EP1369420; EP1439187; EP1477489; EP1506967; EP1510510; EP1553075; EP1571142; EP1586571; EP1612208; EP1661892; EP1731520; EP1777214; EP1834954; EP1847533; EP1894911; EP1911754; EP1941873; EP ChEBI

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