UCSF

ZINC00000272

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 18 Yes

Popular Name: Ethylmethylthiambutene Ethylmethylthiambutene

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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) 4.30 2.05 -32.45 1 1 1 4 278.466 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.76e-02 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0608893A1; EP0647448A1; EP0785775A1; EP1003494A1; EP1023896A2; EP1041987A1; EP1059916A1; US4126684; US5149538; US5321012; US5478577; US5556838; US5654281; US5672360; US5958452; US5965161; US5968551; US6008258; US6159501; WO1995016465A1; WO1996014058A1 IBM Patent Data

Activity (Go SEA)

Rings

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