In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | Yes |
Popular Name: (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-[(3S)-3-methylpyrrolidin-1-yl]ethanamine (1R)-1-(2,3-dihydro-1,4-benzodio…
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) | 2.47 | 8.29 | -123.21 | 3 | 4 | 2 | 40 | 292.423 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.47 | 6.18 | -36.93 | 2 | 4 | 1 | 38 | 291.415 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.47 | 7.24 | -39.37 | 2 | 4 | 1 | 35 | 291.415 | 5 | ↓ |