UCSF

ZINC62838473

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 19 Yes

Popular Name: (1S)-1-phenyl-N'-thieno[3,2-c]pyridin-4-yl-ethane-1,2-diamine (1S)-1-phenyl-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) 0.90 6.65 -110.77 5 3 2 54 271.389 4 ↓
Hi High (pH 8-9.5) 0.90 6.21 -29.41 4 3 1 52 270.381 4 ↓
Hi High (pH 8-9.5) 0.90 6.29 -51.23 4 3 1 53 270.381 4 ↓
Hi High (pH 8-9.5) 0.90 5.85 -5.99 3 3 0 51 269.373 4 ↓

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Rings

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

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