UCSF

ZINC38238830

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 29 Yes

Popular Name: 1-phenyl-N-[[1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]azetidin-3-yl]methyl]methanamine 1-phenyl-N-[[1-[2-[5-(1,2,4-tria…

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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) 2.70 13.1 -52.06 3 6 1 63 387.511 8 ↓
Mid Mid (pH 6-8) 2.70 11.44 -53.91 3 6 1 66 387.511 8 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0804434A1; WO1996004274A1 IBM Patent Data

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