UCSF

ZINC53663815

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 15 Yes

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

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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) 1.82 5.72 -39.18 2 3 1 33 222.337 4 ↓
Hi High (pH 8-9.5) 1.82 4.77 -27.37 2 3 1 29 222.337 4 ↓
Hi High (pH 8-9.5) 1.82 4.29 -5.93 1 3 0 28 221.329 4 ↓
Hi High (pH 8-9.5) 1.82 6.2 -92.09 3 3 2 34 223.345 4 ↓

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Rings

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

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