UCSF

ZINC36335229

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 17 Yes

Popular Name: N4-cycloheptyl-N1,N1-dimethyl-benzene-1,4-diamine N4-cycloheptyl-N1,N1-dimethyl-be…

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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) 4.97 7.48 -2.87 1 2 0 15 232.371 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0790240A1; US5849732 IBM Patent Data

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.