In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 28 | Yes |
Popular Name: (2S,4S)-N-ethyl-4-(m-tolylmethylamino)-1-(1-propyl-4-piperidyl)pyrrolidine-2-carboxamide (2S,4S)-N-ethyl-4-(m-tolylmethyl…
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) | 2.84 | 8.73 | -92.66 | 4 | 5 | 2 | 53 | 388.6 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.84 | 7.59 | -36.21 | 3 | 5 | 1 | 49 | 387.592 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.84 | 9.77 | -112.51 | 4 | 5 | 2 | 50 | 388.6 | 8 | ↓ |