UCSF

ZINC69799379

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 14 Yes

Popular Name: (2S,3R)-1-ethyl-2-(3-thienyl)piperidin-3-amine (2S,3R)-1-ethyl-2-(3-thienyl)pip…

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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) 1.15 3.02 -39.19 3 2 1 31 211.354 2 ↓
Mid Mid (pH 6-8) 1.15 4.74 -31.03 3 2 1 30 211.354 2 ↓
Mid Mid (pH 6-8) 1.15 2.73 -1.7 2 2 0 29 210.346 2 ↓
Lo Low (pH 4.5-6) 1.15 5.04 -105.6 4 2 2 32 212.362 2 ↓

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Rings

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

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