In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | Yes |
Popular Name: 4-(aminomethyl)-N-isopentyl-N,1-dimethyl-piperidin-4-amine 4-(aminomethyl)-N-isopentyl-N,1-…
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) | 1.29 | 3.15 | -28.53 | 3 | 3 | 1 | 34 | 228.404 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 3.8 | -32.59 | 3 | 3 | 1 | 34 | 228.404 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.29 | 6 | -213.63 | 5 | 3 | 3 | 37 | 230.42 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.29 | 3.6 | -120.22 | 4 | 3 | 2 | 35 | 229.412 | 5 | ↓ |