In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 15 | Yes |
Popular Name: [(3S)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyrrolidin-3-yl]methanamine [(3S)-1-[[(2R)-1-ethylpyrrolidin…
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) | 0.45 | 4.48 | -84.76 | 4 | 3 | 2 | 35 | 213.369 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.45 | 2.09 | -45.18 | 3 | 3 | 1 | 34 | 212.361 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.45 | 5.73 | -189.46 | 5 | 3 | 3 | 37 | 214.377 | 4 | ↓ |