In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 21 | Yes |
Popular Name: (3S)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-isopropyl-pyrrolidin-3-amine (3S)-N-[(1S)-1-(2,3-dihydro-1,4-…
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) | 2.39 | 5.39 | -42.3 | 2 | 4 | 1 | 38 | 291.415 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.39 | 4.47 | -4.32 | 1 | 4 | 0 | 34 | 290.407 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.39 | 6.86 | -35.22 | 2 | 4 | 1 | 35 | 291.415 | 4 | ↓ |