UCSF

ZINC36126136

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 Yes

Popular Name: [(3S,5S)-4-(2-dimethylaminoethyl)-3,5-dimethyl-piperazin-1-yl]-[(2S)-tetrahydrofuran-2-yl]methanone [(3S,5S)-4-(2-dimethylaminoethyl…

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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) 0.62 5.68 -46.54 1 5 1 37 284.424 4 ↓
Hi High (pH 8-9.5) 0.62 3.21 -10.32 0 5 0 36 283.416 4 ↓
Lo Low (pH 4.5-6) 0.62 7.71 -122.04 2 5 2 38 285.432 4 ↓

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

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