UCSF

ZINC01708116

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 Yes

Popular Name: (1H-Indol-3-yl)-1-propanamine (1H-Indol-3-yl)-1-propanamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 228098-44-0 , 6245-89-2 , [6245-89-2]

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) 1.59 4.14 -44.9 4 2 1 43 175.255 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 62 - 64 Enamine Building Blocks
MP 62...64 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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