In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 18 | Yes |
Popular Name: 4-(aminomethyl)-N-[(1R)-1,2-dimethylpropyl]-1-isopropyl-N-methyl-piperidin-4-amine 4-(aminomethyl)-N-[(1R)-1,2-dime…
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) | 1.76 | 4.53 | -26.83 | 3 | 3 | 1 | 34 | 256.458 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.76 | 5.04 | -33.37 | 3 | 3 | 1 | 34 | 256.458 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.76 | 4.71 | -110.95 | 4 | 3 | 2 | 35 | 257.466 | 5 | ↓ |