In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 19 | Yes |
Popular Name: 4-(aminomethyl)-N-isobutyl-N-isopropyl-1-propyl-piperidin-4-amine 4-(aminomethyl)-N-isobutyl-N-iso…
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) | 2.31 | 4.9 | -26.39 | 3 | 3 | 1 | 34 | 270.485 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 7.13 | -92.6 | 4 | 3 | 2 | 35 | 271.493 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 6.37 | -34.61 | 3 | 3 | 1 | 34 | 270.485 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 5.37 | -115.05 | 4 | 3 | 2 | 35 | 271.493 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 5.8 | -107.5 | 4 | 3 | 2 | 35 | 271.493 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.31 | 7.47 | -215.28 | 5 | 3 | 3 | 37 | 272.501 | 7 | ↓ |