UCSF

ZINC35866183

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 27 Yes

Popular Name: [4-[[(2R)-4-[(2R)-2-hydroxypropyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone [4-[[(2R)-4-[(2R)-2-hydroxypropy…

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Annotations

Vendors

    None

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) 0.95 1.27 -13.86 1 7 0 65 377.485 6 ↓
Mid Mid (pH 6-8) 0.95 3.45 -45.52 2 7 1 67 378.493 6 ↓
Mid Mid (pH 6-8) 0.95 3.57 -48.7 2 7 1 67 378.493 6 ↓
Lo Low (pH 4.5-6) 0.95 5.76 -112.74 3 7 2 68 379.501 6 ↓

Activity (Go SEA)

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