In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 15 | Yes |
Popular Name: (2S)-N1,N1-diethyl-N2-(2-ethylbutyl)propane-1,2-diamine (2S)-N1,N1-diethyl-N2-(2-ethylbu…
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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) | 3.34 | 6.72 | -31.88 | 2 | 2 | 1 | 20 | 215.405 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.34 | 7.42 | -28.21 | 2 | 2 | 1 | 16 | 215.405 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.34 | 8.42 | -109.47 | 3 | 2 | 2 | 21 | 216.413 | 9 | ↓ |