UCSF

ZINC34691654

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 34 Yes

Popular Name: N-[[(2S)-4-[(2S)-2-hydroxy-3-isopropoxy-propyl]morpholin-2-yl]methyl]-3-methoxy-N-(2-morpholinoethyl N-[[(2S)-4-[(2S)-2-hydroxy-3-iso…

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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) 0.76 1.82 -16.29 1 9 0 84 479.618 12 ↓
Mid Mid (pH 6-8) 0.76 4.16 -45.66 2 9 1 85 480.626 12 ↓
Lo Low (pH 4.5-6) 0.76 6.46 -115.17 3 9 2 86 481.634 12 ↓

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