In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 16 | Yes |
Popular Name: (2S)-N1-ethyl-N2-(2-methoxyethyl)-N2-[(1R)-1-methylpropyl]butane-1,2-diamine (2S)-N1-ethyl-N2-(2-methoxyethyl…
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) | 2.21 | 5.12 | -31.15 | 2 | 3 | 1 | 29 | 231.404 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 3.71 | -1.77 | 1 | 3 | 0 | 24 | 230.396 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 6.16 | -97.43 | 3 | 3 | 2 | 30 | 232.412 | 10 | ↓ |