UCSF

ZINC13480131

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 14 Yes

Popular Name: (2-Oxo-2,3-dihydro-1H-indol-3-yl)acetic acid (2-Oxo-2,3-dihydro-1H-indol-3-yl…

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CAS Numbers: , 2971-31-5 , 575-35-9 , N/A

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) -1.38 5.05 -54.42 1 4 -1 69 190.178 2 ↓
Ref Reference (pH 7) 1.42 2.24 -49.37 2 4 -1 76 190.178 2 ↓
Hi High (pH 8-9.5) 1.42 3.02 -124.81 1 4 -2 79 189.17 2 ↓
Lo Low (pH 4.5-6) -1.38 3.07 -11.79 2 4 0 66 191.186 2 ↓
Lo Low (pH 4.5-6) -1.38 3.07 -11.79 2 4 0 66 191.186 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 214 - 216 Enamine Building Blocks
MP 214...216 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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