UCSF

ZINC00000216

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 19 Yes

Popular Name: Diethylthiambutene Diethylthiambutene

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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) 4.67 2.09 -31.74 1 1 1 4 292.493 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.39e-02 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0608893A1; EP1003494A1; US4126684; US5321012; US5556838; US5654281; US6008258; US6136984; WO1998031358A1; WO1998037078A1 IBM Patent Data

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Rings

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