UCSF

ZINC53933904

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 21 Yes

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

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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) 2.90 8.57 -43.17 2 2 1 20 301.479 5 ↓
Lo Low (pH 4.5-6) 2.90 9.51 -35.58 2 2 1 16 301.479 5 ↓
Lo Low (pH 4.5-6) 2.90 10.64 -120.4 3 2 2 21 302.487 5 ↓

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

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