UCSF

ZINC36161571

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 Yes

Popular Name: (7S)-2-[[[(2S)-2-hydroxy-3-prop-2-ynoxy-propyl]-(3-methoxypropyl)amino]methyl]-7-methyl-5,6,7,8-tetr (7S)-2-[[[(2S)-2-hydroxy-3-prop-…

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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) 2.06 7.29 -57.72 3 7 1 89 434.582 11 ↓
Hi High (pH 8-9.5) 2.06 5.04 -17.16 2 7 0 88 433.574 11 ↓
Hi High (pH 8-9.5) 2.52 4.91 -51.77 2 7 0 92 433.574 11 ↓

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