UCSF

ZINC01601431

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 8 Yes

CAS Number: 1576-84-7

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) 1.30 4.45 -5.08 0 2 0 26 114.144 4

Vendor Notes

Note Type Comments Provided By
BP 128 TCI
PUBCHEM_PATENT_ID EP0158518A2; EP0158518B1; EP0524401B1; US4435588; US4560806; US4608444; US5298610 IBM Patent Data

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