UCSF

ZINC68954862

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 11 Yes

Popular Name: (3R)-N-cyclobutyl-N-methyl-pyrrolidin-3-amine (3R)-N-cyclobutyl-N-methyl-pyrro…

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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) 0.91 2.42 -36.4 2 2 1 20 155.265 2 ↓
Hi High (pH 8-9.5) 0.91 0.99 -0.9 1 2 0 15 154.257 2 ↓
Mid Mid (pH 6-8) 0.91 3.18 -30.47 2 2 1 16 155.265 2 ↓
Lo Low (pH 4.5-6) 0.91 4.63 -102 3 2 2 21 156.273 2 ↓

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

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