In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2009 | 21 | Yes |
Popular Name: 2-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-5-(trifluoromethyl)benzonitrile 2-[[(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) | 3.17 | 8.95 | -38.54 | 2 | 3 | 1 | 40 | 298.332 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.17 | 6.79 | -5.59 | 1 | 3 | 0 | 39 | 297.324 | 5 | ↓ |