UCSF

ZINC00530874

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: 1H-Indol-3-amine 1H-Indol-3-amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 56480-48-9 , 7250-19-3 , [7250-19-3]

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) 1.57 2.44 -4.91 3 2 0 42 132.166 0 ↓
Mid Mid (pH 6-8) 1.26 1.74 -29.52 3 2 1 40 133.174 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 115-117° Matrix Scientific
Purity 95% Fluorochem
UniProt Database Links I23O1_HUMAN; I23O1_MOUSE; I23O1_RAT; I23O2_HUMAN; I23O2_MOUSE; I23O_YEAST; MYG_HALDV; MYG_HALMK ChEBI
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Store in Freezer Matrix Scientific
Patent Database Links US2006258719; US2007185165; US2008119491; US2008214546 ChEBI

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

No pre-computed analogs available. Try a structural similarity search.