UCSF

ZINC62977788

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Substance Information

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

Popular Name: (1S,2R)-1-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-1-(2-thienyl)butan-2-amine (1S,2R)-1-[(3S)-3-(1-piperidyl)p…

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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) 2.62 6.66 -109.77 4 3 2 35 309.523 5 ↓
Hi High (pH 8-9.5) 2.62 4.24 -1.77 2 3 0 32 307.507 5 ↓
Hi High (pH 8-9.5) 2.62 4.89 -41.19 3 3 1 34 308.515 5 ↓

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

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