UCSF

ZINC26516132

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 13 Yes

Popular Name: methyl octahydro-1H-indole-2-carboxylate methyl octahydro-1H-indole-2-car…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 195878-03-6 , 792888-27-8

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) 2.75 4.73 -36.77 2 3 1 43 184.259 2 ↓
Mid Mid (pH 6-8) 2.75 3.58 -6.62 1 3 0 38 183.251 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 173 - 175 Enamine Building Blocks
MP 173...175 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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