In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 16 | Yes |
Popular Name: 1-isopropyl-N-[(2S)-3-methoxy-2-methyl-propyl]piperidin-4-amine 1-isopropyl-N-[(2S)-3-methoxy-2-…
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) | 1.92 | 4.02 | -38.56 | 2 | 3 | 1 | 29 | 229.388 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 5.17 | -31.61 | 2 | 3 | 1 | 26 | 229.388 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.92 | 6.21 | -102.85 | 3 | 3 | 2 | 30 | 230.396 | 6 | ↓ |