UCSF

ZINC37716348

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 19 Yes

Popular Name: 1-piperazin-1-yl-2-(thieno[3,2-c]pyridin-4-ylamino)ethanone 1-piperazin-1-yl-2-(thieno[3,2-c…

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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) 0.44 4.47 -98.79 4 5 2 63 278.381 3 ↓
Hi High (pH 8-9.5) 0.44 2.82 -8.82 2 5 0 57 276.365 3 ↓
Mid Mid (pH 6-8) 0.44 3.18 -38.52 3 5 1 59 277.373 3 ↓

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Rings

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

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