UCSF

ZINC43241931

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 Yes

Popular Name: (1S,2S)-N1-methyl-1-(5-methyl-2-thienyl)-N1-[[(2S)-tetrahydropyran-2-yl]methyl]butane-1,2-diamine (1S,2S)-N1-methyl-1-(5-methyl-2-…

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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) 2.67 7.83 -30.08 3 3 1 40 297.488 6 ↓
Hi High (pH 8-9.5) 2.67 5.4 -2.33 2 3 0 38 296.48 6 ↓
Mid Mid (pH 6-8) 2.67 5.72 -40.81 3 3 1 40 297.488 6 ↓
Mid Mid (pH 6-8) 2.67 8.13 -109.82 4 3 2 41 298.496 6 ↓

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