UCSF

ZINC20145832

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 13 Yes

Popular Name: (2S)-N-butyl-N',N',3-trimethyl-butane-1,2-diamine (2S)-N-butyl-N',N',3-trimethyl-b…

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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) 2.32 5.31 -34.46 2 2 1 20 187.351 7 ↓
Hi High (pH 8-9.5) 2.32 7.03 -28.05 2 2 1 16 187.351 7 ↓
Mid Mid (pH 6-8) 2.32 7.34 -102.25 3 2 2 21 188.359 7 ↓

Activity (Go SEA)

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