In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 1st, 2009 | 19 | Yes |
Popular Name: (3S)-N-isobutyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]quinuclidin-3-amine (3S)-N-isobutyl-N-[[(2S)-tetrahy…
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) | 2.49 | 6.88 | -33.87 | 1 | 3 | 1 | 17 | 267.437 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.49 | 4.46 | -1.21 | 0 | 3 | 0 | 16 | 266.429 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.49 | 8.98 | -102.46 | 2 | 3 | 2 | 18 | 268.445 | 5 | ↓ |