In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2008 | 20 | Yes |
Popular Name: (3-methyl-1H-pyrazol-4-yl)-[(3S)-3-morpholino-1-piperidyl]methanone (3-methyl-1H-pyrazol-4-yl)-[(3S)…
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) | -0.30 | 1.45 | -12.86 | 1 | 6 | 0 | 61 | 278.356 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.30 | 3.89 | -44.07 | 2 | 6 | 1 | 63 | 279.364 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.30 | 3.86 | -44.66 | 2 | 6 | 1 | 63 | 279.364 | 2 | ↓ |