UCSF

ZINC02576352

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

Popular Name: 2-Aminoindole hydrochloride 2-Aminoindole hydrochloride

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CAS Numbers: 27878-37-1 , 36946-70-0 , 56480-48-9 , [36946-70-0] , [56480-48-9]

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) 1.77 3.34 -5.55 3 2 0 42 132.166 0 ↓
Ref Reference (pH 7) 1.47 3.7 -31.89 3 2 1 38 133.174 0 ↓
Hi High (pH 8-9.5) 1.34 3.36 -8.51 2 2 0 38 132.166 0 ↓

Vendor Notes

Note Type Comments Provided By
Patent Database Links EP1364659; WO2005090329 ChEBI

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