In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 19 | Yes |
Popular Name: 4-(aminomethyl)-N-methyl-1-propyl-N-[(1R)-1,2,2-trimethylpropyl]piperidin-4-amine 4-(aminomethyl)-N-methyl-1-propy…
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) | 2.55 | 6 | -107.81 | 4 | 3 | 2 | 35 | 271.493 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 7.28 | -93.29 | 4 | 3 | 2 | 35 | 271.493 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 5.2 | -34.59 | 3 | 3 | 1 | 34 | 270.485 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.55 | 7.4 | -213.33 | 5 | 3 | 3 | 37 | 272.501 | 6 | ↓ |