UCSF

ZINC67541123

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 26 Yes

Popular Name: 4-[(3R)-3-(2-hydroxyethyl)-4-isobutyl-piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic 4-[(3R)-3-(2-hydroxyethyl)-4-iso…

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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) 2.35 7.8 -68.05 2 7 0 94 378.498 6 ↓
Hi High (pH 8-9.5) 2.35 6.79 -45.07 1 7 -1 93 377.49 6 ↓

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

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