In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 20 | Yes |
Popular Name: (2S)-N1-tert-butyl-N2-(1-ethylpropyl)-N2-(2-methoxyethyl)-3-methyl-butane-1,2-diamine (2S)-N1-tert-butyl-N2-(1-ethylpr…
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) | 4.15 | 6.66 | -28.54 | 2 | 3 | 1 | 29 | 287.512 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.15 | 6.74 | -0.51 | 1 | 3 | 0 | 24 | 286.504 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.15 | 7.91 | -24.51 | 2 | 3 | 1 | 26 | 287.512 | 11 | ↓ |
Mid Mid (pH 6-8) | 4.15 | 8.99 | -95.54 | 3 | 3 | 2 | 30 | 288.52 | 11 | ↓ |