UCSF

ZINC71544770

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 24 Yes

Popular Name: [(6S)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone [(6S)-6-tert-butyl-4,5,6,7-tetra…

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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) 2.73 5.04 -10 1 4 0 44 350.528 4 ↓
Lo Low (pH 4.5-6) 2.73 7.34 -40.81 2 4 1 45 351.536 4 ↓

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

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