In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 13 | Yes |
Popular Name: (2R,3R)-N-ethyl-3-[(2S)-2-methylpyrrolidin-1-yl]butan-2-amine (2R,3R)-N-ethyl-3-[(2S)-2-methyl…
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) | 1.90 | 5.88 | -97.18 | 3 | 2 | 2 | 21 | 186.343 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.90 | 4.84 | -27.92 | 2 | 2 | 1 | 16 | 185.335 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 4.02 | -33.48 | 2 | 2 | 1 | 20 | 185.335 | 4 | ↓ |