UCSF

ZINC00215160

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 21 Yes

Popular Name: 3-(Azepane-1-sulfonyl)-4-methoxy-benzoic acid 3-(Azepane-1-sulfonyl)-4-methoxy…

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CAS Number: 299181-35-4

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) 2.56 5.76 -55.87 0 6 -1 87 312.367 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 190 - 194 Enamine Building Blocks
MP 191 - 193 Enamine Building Blocks
MP 191...193 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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