UCSF

ZINC52505397

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 Yes

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

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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) 2.16 7.14 -97.12 4 3 2 45 278.421 3 ↓
Hi High (pH 8-9.5) 2.16 4.63 -4.7 2 3 0 42 276.405 3 ↓
Mid Mid (pH 6-8) 2.16 5.05 -45.13 3 3 1 44 277.413 3 ↓

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

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