UCSF

ZINC70613552

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 14 Yes

Popular Name: (4S)-4-ethyl-1-[(3R)-pyrrolidin-3-yl]azepane (4S)-4-ethyl-1-[(3R)-pyrrolidin-…

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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) 2.35 5.07 -31.1 2 2 1 16 197.346 2 ↓
Hi High (pH 8-9.5) 2.35 4.46 -36.37 2 2 1 20 197.346 2 ↓
Lo Low (pH 4.5-6) 2.35 6.49 -106.02 3 2 2 21 198.354 2 ↓

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