UCSF

ZINC34691328

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 36 Yes

Popular Name: N-[[(2R)-4-[(2R)-2-hydroxy-3-morpholino-propyl]morpholin-2-yl]methyl]-N-isobutyl-3,4,5-trimethoxy-be N-[[(2R)-4-[(2R)-2-hydroxy-3-mor…

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Download: MOL2 SDF SMILES Flexibase

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) 0.75 2.46 -14.56 1 10 0 93 509.644 12 ↓
Mid Mid (pH 6-8) 0.75 4.72 -46.59 2 10 1 94 510.652 12 ↓
Mid Mid (pH 6-8) 0.75 4.69 -52.4 2 10 1 94 510.652 12 ↓

Activity (Go SEA)

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