UCSF

ZINC53391842

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 17 Yes

Popular Name: N-[(1R)-1-cyclopropylethyl]-N'-methyl-N'-[[(2S)-tetrahydropyran-2-yl]methyl]ethane-1,2-diamine N-[(1R)-1-cyclopropylethyl]-N'-m…

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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) 2.21 5.03 -36.23 2 3 1 29 241.399 7 ↓
Hi High (pH 8-9.5) 2.21 3.89 -2.24 1 3 0 24 240.391 7 ↓
Lo Low (pH 4.5-6) 2.21 7.35 -110.7 3 3 2 30 242.407 7 ↓

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

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