UCSF

ZINC62767797

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2011 17 Yes

Popular Name: N-cyclopropyl-N-isobutyl-N'-tetrahydropyran-4-yl-ethane-1,2-diamine N-cyclopropyl-N-isobutyl-N'-tetr…

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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) 1.99 6.67 -114.33 3 3 2 30 242.407 7 ↓
Hi High (pH 8-9.5) 1.99 3.84 -1.89 1 3 0 24 240.391 7 ↓
Mid Mid (pH 6-8) 1.99 5.49 -32.32 2 3 1 26 241.399 7 ↓
Mid Mid (pH 6-8) 1.99 5.02 -40.15 2 3 1 29 241.399 7 ↓

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

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