UCSF

ZINC21982805

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 16 Yes

Popular Name: (4aR,7aR)-octahydro-6-(phenylmethyl)-1H-Pyrrolo[3,4-b]pyridine (4aR,7aR)-octahydro-6-(phenylmet…

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CAS Numbers: 1149340-39-5 , 151213-39-7 , 151213-43-3

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) 2.15 6.37 -34.37 2 2 1 16 217.336 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

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