UCSF

ZINC43253355

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Substance Information

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

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

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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) 2.74 6.84 -32.88 3 3 1 40 303.879 6 ↓
Hi High (pH 8-9.5) 2.74 4.41 -2.35 2 3 0 38 302.871 6 ↓
Mid Mid (pH 6-8) 2.74 4.7 -44.02 3 3 1 40 303.879 6 ↓
Mid Mid (pH 6-8) 2.74 7.14 -113.54 4 3 2 41 304.887 6 ↓

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