UCSF

ZINC01637721

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 15 No

Popular Name: 12-Bromododecanoic Acid 12-Bromododecanoic Acid

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CAS Number: 73367-80-3

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) 4.88 0.95 -45.87 0 2 -1 40 278.21 11 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.38e-03 g/l DrugBank-experimental

Activity (Go SEA)

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