In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 15 | Yes |
Popular Name: (3S)-N-ethyl-1-[(1R)-1-methylhexyl]pyrrolidin-3-amine (3S)-N-ethyl-1-[(1R)-1-methylhex…
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) | 3.40 | 6.8 | -30.68 | 2 | 2 | 1 | 16 | 213.389 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.40 | 4.4 | -0.86 | 1 | 2 | 0 | 15 | 212.381 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.40 | 5.6 | -34.55 | 2 | 2 | 1 | 20 | 213.389 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.40 | 8.01 | -105.4 | 3 | 2 | 2 | 21 | 214.397 | 7 | ↓ |