In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 16 | Yes |
Popular Name: (3R)-3-(aminomethyl)-N-methyl-N-[(1S)-1-methylpropyl]quinuclidin-3-amine (3R)-3-(aminomethyl)-N-methyl-N-…
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) | 1.08 | 2.41 | -106.18 | 4 | 3 | 2 | 35 | 227.396 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.08 | 3.45 | -32.63 | 3 | 3 | 1 | 34 | 226.388 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.08 | -0.13 | -41.14 | 3 | 3 | 1 | 34 | 226.388 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.08 | 2.45 | -113.71 | 4 | 3 | 2 | 35 | 227.396 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.08 | 5.22 | -208.37 | 5 | 3 | 3 | 37 | 228.404 | 4 | ↓ |