In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 17 | Yes |
Popular Name: (3S)-3-(aminomethyl)-N-cyclopentyl-N-methyl-quinuclidin-3-amine (3S)-3-(aminomethyl)-N-cyclopent…
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) | 1.27 | 4.14 | -111.37 | 4 | 3 | 2 | 35 | 239.407 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.27 | 4.14 | -32.57 | 3 | 3 | 1 | 34 | 238.399 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.27 | 1.72 | -43.86 | 3 | 3 | 1 | 34 | 238.399 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.27 | 3.38 | -120.13 | 4 | 3 | 2 | 35 | 239.407 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.27 | 5.81 | -220.32 | 5 | 3 | 3 | 37 | 240.415 | 3 | ↓ |