UCSF

ZINC04095688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 21 No

CAS Number: 14116-69-9

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) -3.92 -18.3 -15.26 7 10 0 169 312.271 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0065123A1; EP0653438A2; EP0653438A3; EP0699241A1; EP0699241B1; EP0819765A3; US4062933; US4336170; US4617293; US4859564; US5254646; US5739004; US5879901; US5998595; US6143443; WO1994028164A1; WO1996035239A1 IBM Patent Data

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