UCSF

ZINC53932288

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 20 Yes

Popular Name: (1R)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methyl-1-phenyl-propan-1-amine (1R)-3-(6,7-dihydro-4H-thieno[3,…

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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) 2.34 8.07 -44.01 2 2 1 20 287.452 5 ↓
Hi High (pH 8-9.5) 2.34 6.93 -3.71 1 2 0 15 286.444 5 ↓
Lo Low (pH 4.5-6) 2.34 9.11 -38.17 2 2 1 16 287.452 5 ↓
Lo Low (pH 4.5-6) 2.34 10.24 -124.35 3 2 2 21 288.46 5 ↓

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Rings

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

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