UCSF

ZINC45658897

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 Yes

Popular Name: (3S)-3-(aminomethyl)-1-isopropyl-N-[(1S)-2-methoxy-1-methyl-ethyl]-N-methyl-pyrrolidin-3-amine (3S)-3-(aminomethyl)-1-isopropyl…

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Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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
Hi High (pH 8-9.5) 0.35 -0.13 -39.96 3 4 1 43 244.403 6 ↓
Hi High (pH 8-9.5) 0.35 2.02 -31.51 3 4 1 43 244.403 6 ↓
Hi High (pH 8-9.5) 0.35 1.99 -26.56 3 4 1 43 244.403 6 ↓
Mid Mid (pH 6-8) 0.35 4.47 -91.54 4 4 2 44 245.411 6 ↓
Mid Mid (pH 6-8) 0.35 2.35 -103.49 4 4 2 45 245.411 6 ↓
Mid Mid (pH 6-8) 0.35 0.05 -1.69 2 4 0 42 243.395 6 ↓

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