UCSF

ZINC43767219

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 28 Yes

Popular Name: 2-[4-[(2R,3R)-3-methyl-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-yl]-1-(1-piperidyl)ethano 2-[4-[(2R,3R)-3-methyl-2,3-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) 1.32 7.31 -20.79 0 7 0 62 387.48 3 ↓
Mid Mid (pH 6-8) 1.32 9.45 -60.05 1 7 1 64 388.488 3 ↓

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

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