UCSF

ZINC36305418

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 14 Yes

Popular Name: (3R,4S)-N3-ethyl-N3-isobutyl-tetrahydropyran-3,4-diamine (3R,4S)-N3-ethyl-N3-isobutyl-tet…

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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) 0.81 1.73 -40.91 3 3 1 40 201.334 4 ↓
Hi High (pH 8-9.5) 0.81 1.44 -1.55 2 3 0 38 200.326 4 ↓
Mid Mid (pH 6-8) 0.81 3.28 -115.27 4 3 2 41 202.342 4 ↓

Activity (Go SEA)

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