In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 24 | Yes |
Popular Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-N-(4-pyridylmethyl)ethanamine N-[[(2S)-1-ethylpyrrolidin-2-yl]…
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) | 3.05 | 11.86 | -38.61 | 1 | 3 | 1 | 21 | 324.492 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.05 | 9.5 | -4.56 | 0 | 3 | 0 | 19 | 323.484 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.05 | 12.3 | -88.31 | 2 | 3 | 2 | 22 | 325.5 | 8 | ↓ |