UCSF

ZINC00294550

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol 3,3',5,5'-tetrachlorobiphenyl-4,…

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CAS Number: 13049-13-3

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) 5.72 -2.57 -5.46 2 2 0 40 323.99 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.59e-03 g/l DrugBank-experimental

Activity (Go SEA)

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