UCSF

ZINC00300201

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: methyl 3-amino-5-fluoro-1H-indole-2-carboxylate methyl 3-amino-5-fluoro-1H-indol…

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CAS Numbers: 436088-83-4 , [436088-83-4]

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) 0.81 3.13 -6.42 3 4 0 68 208.192 2 ↓
Mid Mid (pH 6-8) 1.25 2.65 -33.48 3 4 1 66 209.2 2 ↓
Mid Mid (pH 6-8) 1.25 2.65 -33.48 3 4 1 66 209.2 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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