UCSF

ZINC01530359

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 29 No

CAS Number: 23594-80-1

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) 0.77 0.7 -30.28 0 7 1 59 392.387 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0326627A1; EP0326628A1; EP0379623A1; EP0583389A1; US4683133; US4735945; US4737503; US4769452; US4818533; US5175000; US5395615; WO1992019242A1 IBM Patent Data

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