UCSF

ZINC04097541

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 10 Yes

CAS Number: [6477-44-7]

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) -2.35 -9.57 -8.57 4 5 0 90 150.13 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0132293A2; EP0132293B1; EP0136844A2; EP0230598A1; EP0230598B1; EP0278752A1; EP0301634A1; EP0301634B1; EP0349221A2; EP0349221B1; EP0362279B2; EP0416713A1; EP0416713B1; EP0416713B2; EP0424066A2; EP0424066B1; EP0548272A1; EP0548272B1; EP0550526A1; EP055052 IBM Patent Data

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