UCSF

ZINC02243036

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 14 No

Popular Name: 3-Hydroxyindole-2-carboxylic acid methyl ester 3-Hydroxyindole-2-carboxylic aci…

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CAS Numbers: 31827-04-0 , [31827-04-0]

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) 1.94 3.67 -53.01 1 4 -1 65 190.178 2 ↓
Ref Reference (pH 7) 1.06 1.96 -30.8 2 4 1 61 192.194 2 ↓
Mid Mid (pH 6-8) 1.94 2.75 -8.43 2 4 0 62 191.186 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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