UCSF

ZINC60021614

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 22 Yes

Popular Name: cyclopropylmethyl(diethyl)BLAHamine cyclopropylmethyl(diethyl)BLAHamine

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Annotations

Vendors

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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) 4.17 9.72 -34.45 3 2 1 30 299.482 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3957793; US3968114; US4032529; US4127577; US4205171; USRE29943 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.