UCSF

ZINC53938016

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 1.47 7.23 -50.59 3 2 1 31 287.452 4 ↓
Hi High (pH 8-9.5) 1.47 6.9 -4.1 2 2 0 29 286.444 4 ↓
Lo Low (pH 4.5-6) 1.47 8.74 -36.9 3 2 1 30 287.452 4 ↓
Lo Low (pH 4.5-6) 1.47 9 -130.54 4 2 2 32 288.46 4 ↓

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Rings

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

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