In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 17 | Yes |
Popular Name: (3R)-3-(aminomethyl)-N-ethyl-N-isobutyl-quinuclidin-3-amine (3R)-3-(aminomethyl)-N-ethyl-N-i…
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) | 1.37 | 4.44 | -106.61 | 4 | 3 | 2 | 35 | 241.423 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.37 | 2.02 | -41.25 | 3 | 3 | 1 | 34 | 240.415 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.37 | 3.79 | -32.19 | 3 | 3 | 1 | 34 | 240.415 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.37 | 3.37 | -113.72 | 4 | 3 | 2 | 35 | 241.423 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.37 | 6.17 | -93.03 | 4 | 3 | 2 | 35 | 241.423 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.37 | 5.79 | -211.59 | 5 | 3 | 3 | 37 | 242.431 | 5 | ↓ |