UCSF

ZINC53663629

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 14 Yes

Popular Name: N-methyl-N-thieno[3,2-c]pyridin-4-yl-ethane-1,2-diamine N-methyl-N-thieno[3,2-c]pyridin-…

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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) 0.84 3.84 -43.73 3 3 1 44 208.31 3 ↓
Hi High (pH 8-9.5) 0.84 3.46 -5.95 2 3 0 42 207.302 3 ↓
Lo Low (pH 4.5-6) 0.84 4.32 -96.68 4 3 2 45 209.318 3 ↓

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

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