In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 18 | Yes |
Popular Name: 1-(3-isopropyl-1-methyl-pyrazol-4-yl)-N-[[(2S)-tetrahydropyran-2-yl]methyl]methanamine 1-(3-isopropyl-1-methyl-pyrazol-…
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) | 2.03 | 6.06 | -42.39 | 2 | 4 | 1 | 44 | 252.382 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.03 | 4.63 | -6.76 | 1 | 4 | 0 | 39 | 251.374 | 5 | ↓ |