In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 21 | Yes |
Popular Name: N,N-diethyl-4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]aniline N,N-diethyl-4-[[[(2S)-1-ethylpyr…
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) | 3.15 | 8.99 | -57.04 | 3 | 3 | 0 | 21 | 291.483 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.15 | 7.89 | -39.91 | 2 | 3 | 1 | 23 | 290.475 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.15 | 8.91 | -31.79 | 2 | 3 | 1 | 20 | 290.475 | 8 | ↓ |