In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 19 | Yes |
Popular Name: (3R)-3-(aminomethyl)-N-isopropyl-N-pentyl-quinuclidin-3-amine (3R)-3-(aminomethyl)-N-isopropyl…
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 |
---|---|---|---|---|---|---|---|---|---|---|
Hi High (pH 8-9.5) | 2.49 | 3.39 | -44.83 | 3 | 3 | 1 | 34 | 268.469 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.49 | 6.12 | -31.28 | 3 | 3 | 1 | 34 | 268.469 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.48 | 6.97 | -95.84 | 4 | 3 | 2 | 35 | 269.477 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.48 | 4.86 | -118.8 | 4 | 3 | 2 | 35 | 269.477 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.48 | 5.81 | -109.24 | 4 | 3 | 2 | 35 | 269.477 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.48 | 7.28 | -213.5 | 5 | 3 | 3 | 37 | 270.485 | 7 | ↓ |