In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 21 | Yes |
Popular Name: 2-[4-[[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]amino]-1-piperidyl]-N-methyl-acetamide 2-[4-[[(1S)-1-(2,5-dimethyl-3-fu…
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) | 1.47 | 3.87 | -42.29 | 3 | 5 | 1 | 62 | 294.419 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 2.78 | -10.37 | 2 | 5 | 0 | 58 | 293.411 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.47 | 6.04 | -110.25 | 4 | 5 | 2 | 63 | 295.427 | 5 | ↓ |