UCSF

ZINC00056830

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: dimethyl 1H-indole-2,3-dicarboxylate dimethyl 1H-indole-2,3-dicarboxy…

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CAS Numbers: 54781-93-0 , [54781-93-0]

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) 1.99 5.74 -12.35 1 5 0 68 233.223 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 112 - 115 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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