UCSF

ZINC62977737

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 19 Yes

Popular Name: (2R)-2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-2-(2-thienyl)ethanamine (2R)-2-[(3S)-3-(1-piperidyl)pyrr…

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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) 1.68 5.46 -109.72 4 3 2 35 281.469 4 ↓
Hi High (pH 8-9.5) 1.68 5.08 -32.84 3 3 1 34 280.461 4 ↓
Hi High (pH 8-9.5) 1.68 2.9 -1.76 2 3 0 32 279.453 4 ↓
Hi High (pH 8-9.5) 1.68 3.29 -44.98 3 3 1 34 280.461 4 ↓

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

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