UCSF

ZINC48947269

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 Yes

Popular Name: (1R,5S)-3-(aminomethyl)-N,8-dimethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-8-azabicyclo[3.2.1]octan- (1R,5S)-3-(aminomethyl)-N,8-dime…

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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) 0.39 3.09 -98.35 4 4 2 45 269.433 4 ↓
Hi High (pH 8-9.5) 0.39 3.06 -34.69 3 4 1 43 268.425 4 ↓
Hi High (pH 8-9.5) 0.39 2.85 -27.38 3 4 1 43 268.425 4 ↓
Mid Mid (pH 6-8) 0.39 2.9 -116.3 4 4 2 45 269.433 4 ↓

Activity (Go SEA)

Rings

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

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