In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 27th, 2010 | 16 | Yes |
Popular Name: N-[(4-fluorophenyl)methyl]-N'-methyl-N-propyl-ethane-1,2-diamine N-[(4-fluorophenyl)methyl]-N'-me…
None
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) | 2.57 | 5.67 | -39.69 | 2 | 2 | 1 | 20 | 225.331 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.57 | 4.24 | -2.49 | 1 | 2 | 0 | 15 | 224.323 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.57 | 6.35 | -38.52 | 2 | 2 | 1 | 16 | 225.331 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.57 | 7.8 | -116.5 | 3 | 2 | 2 | 21 | 226.339 | 7 | ↓ |