In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 19 | Yes |
Popular Name: N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-pyrrolidin-1-yl-ethanamine N-[(7-chloro-1,3-benzodioxol-5-y…
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) | 2.42 | 6.9 | -128.11 | 3 | 4 | 2 | 40 | 284.787 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 4.44 | -49.18 | 2 | 4 | 1 | 38 | 283.779 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 5.54 | -38.79 | 2 | 4 | 1 | 35 | 283.779 | 5 | ↓ |