In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: (2S)-N'-ethyl-N'-(2-isopropyl-6-methyl-pyrimidin-4-yl)-2-methyl-propane-1,3-diamine (2S)-N'-ethyl-N'-(2-isopropyl-6-…
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) | 1.75 | 7.14 | -81.55 | 4 | 4 | 2 | 58 | 252.406 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.75 | 6.65 | -46.89 | 3 | 4 | 1 | 57 | 251.398 | 6 | ↓ |