In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2011 | 24 | Yes |
Popular Name: (2R)-3-methyl-2-morpholino-N-[[3-(3-pyridyl)-1H-pyrazol-4-yl]methyl]butan-1-amine (2R)-3-methyl-2-morpholino-N-[[3…
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) | 1.39 | 4.38 | -42.6 | 3 | 6 | 1 | 71 | 330.456 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.39 | 3.69 | -4.53 | 2 | 6 | 0 | 66 | 329.448 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.39 | 6.19 | -112.59 | 4 | 6 | 2 | 72 | 331.464 | 7 | ↓ |