UCSF

ZINC32937878

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 15 Yes

Popular Name: 2-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]aniline 2-[3-(propan-2-yl)-1H-1,2,4-tria…

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CAS Number: 1147746-77-7

Other Names:

MFCD12197041

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) 2.09 4.9 -6.32 3 4 0 68 202.261 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 125 - 127 Enamine Building Blocks
MP 125...127 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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