UCSF

ZINC62982322

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Substance Information

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

Popular Name: 3-[5-[[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]methyl]-3-thienyl]prop-2-yn-1-amine 3-[5-[[(3S)-3-(1-piperidyl)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) 1.63 6.81 -87.87 4 3 2 35 305.491 3 ↓
Hi High (pH 8-9.5) 1.63 4.25 -5.16 2 3 0 32 303.475 3 ↓
Mid Mid (pH 6-8) 1.63 6.41 -36.05 3 3 1 34 304.483 3 ↓

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

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