In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 15 | Yes |
Popular Name: (3S)-N-ethyl-1-[[(2S)-tetrahydropyran-2-yl]methyl]pyrrolidin-3-amine (3S)-N-ethyl-1-[[(2S)-tetrahydro…
None
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) | 1.50 | 4.75 | -31.04 | 2 | 3 | 1 | 26 | 213.345 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.50 | 3.42 | -35.87 | 2 | 3 | 1 | 29 | 213.345 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.50 | 2.23 | -1.63 | 1 | 3 | 0 | 24 | 212.337 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.50 | 5.94 | -105.18 | 3 | 3 | 2 | 30 | 214.353 | 4 | ↓ |