In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 17 | Yes |
Popular Name: (3S)-3-(aminomethyl)-N-cyclopropyl-N-propyl-quinuclidin-3-amine (3S)-3-(aminomethyl)-N-cycloprop…
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) | 1.11 | 4.52 | -106.62 | 4 | 3 | 2 | 35 | 239.407 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.11 | 2.08 | -41.36 | 3 | 3 | 1 | 34 | 238.399 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.11 | 4.42 | -30.25 | 3 | 3 | 1 | 34 | 238.399 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.11 | 2.96 | -26.74 | 3 | 3 | 1 | 34 | 238.399 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.11 | 3.74 | -113.75 | 4 | 3 | 2 | 35 | 239.407 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.11 | 6.15 | -91.77 | 4 | 3 | 2 | 35 | 239.407 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.11 | 6.15 | -210.73 | 5 | 3 | 3 | 37 | 240.415 | 5 | ↓ |