In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 20 | Yes |
Popular Name: N-[(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-pyrrolidin-1-yl-ethanamine N-[(8-chloro-2,3-dihydro-1,4-ben…
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) | 2.24 | 7.42 | -124.32 | 3 | 4 | 2 | 40 | 298.814 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.24 | 4.97 | -46.5 | 2 | 4 | 1 | 38 | 297.806 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.24 | 6.06 | -37.73 | 2 | 4 | 1 | 35 | 297.806 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.