In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 13 | Yes |
Popular Name: (2R)-N1,N2-diethyl-N1-[(1S)-1-methylpropyl]propane-1,2-diamine (2R)-N1,N2-diethyl-N1-[(1S)-1-me…
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) | 2.42 | 6.77 | -96.55 | 3 | 2 | 2 | 21 | 188.359 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 3.27 | -0.44 | 1 | 2 | 0 | 15 | 186.343 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 6.65 | -25.9 | 2 | 2 | 1 | 16 | 187.351 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 4.85 | -30.44 | 2 | 2 | 1 | 20 | 187.351 | 7 | ↓ |