UCSF

ZINC29402221

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 29 Yes

Popular Name: DCF DCF

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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) 3.95 8.91 -9.07 0 4 0 33 392.543 6 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 7.425 Bitter DB
ALOGPS_SOLUBILITY 1.75e-02 g/l DrugBank-Street Drugs
PUBCHEM_PATENT_ID EP0608893A1; EP1003494A1; US4126684; US5321012; US5556838; US5654281; US6008258; WO1998031358A1 IBM Patent Data

Activity (Go SEA)

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