In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 18 | Yes |
Popular Name: N-[(2,4-dichlorophenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine N-[(2,4-dichlorophenyl)methyl]-1…
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) | 3.58 | 9.55 | -114.72 | 3 | 2 | 2 | 21 | 289.25 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.58 | 8.15 | -32.07 | 2 | 2 | 1 | 16 | 288.242 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.58 | 7.74 | -36.89 | 2 | 2 | 1 | 20 | 288.242 | 5 | ↓ |