UCSF

ZINC37816843

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 Yes

Popular Name: 2-(cyclopropylmethylamino)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone 2-(cyclopropylmethylamino)-1-[4-…

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Annotations

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Vendors

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) 0.73 5.31 -42.54 2 4 1 40 252.382 6 ↓
Hi High (pH 8-9.5) 0.73 6.15 -43.91 2 4 1 37 252.382 6 ↓
Hi High (pH 8-9.5) 0.73 3.95 -7.01 1 4 0 36 251.374 6 ↓
Mid Mid (pH 6-8) 0.73 7.52 -101.48 3 4 2 41 253.39 6 ↓

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