| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 18 | Yes |
Popular Name: (3S)-3-(aminomethyl)-N-isobutyl-N-isopropyl-quinuclidin-3-amine (3S)-3-(aminomethyl)-N-isobutyl-…
| 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) | 1.66 | 2.2 | -113.6 | 4 | 3 | 2 | 35 | 255.45 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 3.15 | -0.06 | 2 | 3 | 0 | 32 | 253.434 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 1.96 | -42.99 | 3 | 3 | 1 | 34 | 254.442 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 5.18 | -33.23 | 3 | 3 | 1 | 34 | 254.442 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | 5.49 | -91.99 | 4 | 3 | 2 | 35 | 255.45 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | 4.38 | -109.11 | 4 | 3 | 2 | 35 | 255.45 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.66 | 5.81 | -212.57 | 5 | 3 | 3 | 37 | 256.458 | 5 | ↓ |
