UCSF

ZINC19336338

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 29 Yes

Popular Name: 2-[(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(1-isopropyl-4-piperidyl)piperazin-2-yl]ethanol 2-[(2S)-4-(2,3-dihydro-1,4-benzo…

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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) 1.86 4.1 -38.06 2 6 1 50 404.575 6 ↓
Hi High (pH 8-9.5) 1.86 4.21 -38.76 2 6 1 50 404.575 6 ↓
Lo Low (pH 4.5-6) 1.86 6.36 -104.34 3 6 2 51 405.583 6 ↓
Lo Low (pH 4.5-6) 1.86 6.72 -92.54 3 6 2 51 405.583 6 ↓

Activity (Go SEA)

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