In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: 4-(aminomethyl)-N-isopentyl-1-isopropyl-N-methyl-piperidin-4-amine 4-(aminomethyl)-N-isopentyl-1-is…
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) | 1.96 | 4.51 | -28.65 | 3 | 3 | 1 | 34 | 256.458 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.96 | 4.97 | -29.9 | 3 | 3 | 1 | 34 | 256.458 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.96 | 7.17 | -216.8 | 5 | 3 | 3 | 37 | 258.474 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.96 | 4.97 | -121.16 | 4 | 3 | 2 | 35 | 257.466 | 6 | ↓ |