UCSF

ZINC06855063

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 11 Yes

Popular Name: 4-fluoro-1H-indazol-3-amine 4-fluoro-1H-indazol-3-amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 404827-78-7 , 697230-91-4 , N/A , [404827-78-7] , [697230-91-4]

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) 0.72 2.42 -28.82 3 3 1 52 152.152 0 ↓
Ref Reference (pH 7) 0.72 2.42 -28.84 3 3 1 52 152.152 0 ↓
Ref Reference (pH 7) 1.35 2.24 -6.43 3 3 0 55 151.144 0 ↓
Hi High (pH 8-9.5) 0.72 2.33 -37.58 1 3 -1 48 150.136 0 ↓
Hi High (pH 8-9.5) 0.72 2.33 -37.56 1 3 -1 48 150.136 0 ↓
Mid Mid (pH 6-8) 1.35 2.33 -32.1 4 3 1 56 152.152 0 ↓
Mid Mid (pH 6-8) 1.35 2.17 -7.18 3 3 0 55 151.144 0 ↓
Mid Mid (pH 6-8) 0.72 2.28 -9.03 2 3 0 51 151.144 0 ↓
Mid Mid (pH 6-8) 0.72 2.28 -9.03 2 3 0 51 151.144 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 170-172? Alfa-Aesar
MP 171 - 173 Enamine Building Blocks
MP 171...173 Enamine Building Blocks
melting_point 172 - 174 KeyOrganics
MP 172-174° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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