UCSF

ZINC71602864

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 27 Yes

Popular Name: 2-[2-[4-[(6aS,10aS)-6a,10a-dihydrobenzo[b][1,4]benzothiazepin-6-yl]piperazin-1-yl]ethoxy]ethanol 2-[2-[4-[(6aS,10aS)-6a,10a-dihyd…

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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) -2.09 6.47 -30.16 2 5 1 48 386.541 5 ↓
Hi High (pH 8-9.5) 2.13 6.94 -9.68 1 5 0 48 385.533 6 ↓
Mid Mid (pH 6-8) -2.09 8.82 -106.77 3 5 2 49 387.549 5 ↓

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

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