UCSF

ZINC53345664

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-methyl-N-(p-tolylmethyl)-N'-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diamine N-methyl-N-(p-tolylmethyl)-N'-[(…

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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) 2.68 8.88 -117.71 3 3 2 30 278.44 7 ↓
Hi High (pH 8-9.5) 2.68 7.89 -37.13 2 3 1 26 277.432 7 ↓
Mid Mid (pH 6-8) 2.68 6.55 -36.94 2 3 1 29 277.432 7 ↓

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

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