UCSF

ZINC69798747

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 13 Yes

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

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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) 0.78 2.23 -39.07 3 2 1 31 197.327 1 ↓
Hi High (pH 8-9.5) 0.78 1.95 -1.88 2 2 0 29 196.319 1 ↓
Lo Low (pH 4.5-6) 0.78 4.41 -105.87 4 2 2 32 198.335 1 ↓
Lo Low (pH 4.5-6) 0.78 4.1 -32.85 3 2 1 30 197.327 1 ↓

Activity (Go SEA)

Rings

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

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