UCSF

ZINC71561291

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 18 Yes

Popular Name: (1S)-1-(4-butylphenyl)-2-pyrrolidin-1-yl-ethanamine (1S)-1-(4-butylphenyl)-2-pyrroli…

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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
Ref Reference (pH 7) 1.72 8.63 -30.6 3 2 1 30 247.406 6 ↓
Hi High (pH 8-9.5) 1.72 6.15 -1.78 2 2 0 29 246.398 6 ↓
Lo Low (pH 4.5-6) 1.72 9.02 -124.62 4 2 2 32 248.414 6 ↓

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

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