UCSF

ZINC43248438

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 Yes

Popular Name: (1S,2S)-N1-methyl-1-(3-methyl-2-thienyl)-N1-[[(2S)-tetrahydrofuran-2-yl]methyl]butane-1,2-diamine (1S,2S)-N1-methyl-1-(3-methyl-2-…

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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) 2.32 6.36 -29.4 3 3 1 40 283.461 6 ↓
Hi High (pH 8-9.5) 2.32 4.03 -2.67 2 3 0 38 282.453 6 ↓
Mid Mid (pH 6-8) 2.32 4.62 -31.87 3 3 1 40 283.461 6 ↓
Mid Mid (pH 6-8) 2.32 6.76 -106.92 4 3 2 41 284.469 6 ↓

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