In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2011 | 17 | Yes |
Popular Name: 1-(4-fluorophenyl)-3-[methyl-[2-(methylamino)ethyl]amino]propan-1-one 1-(4-fluorophenyl)-3-[methyl-[2-…
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) | 1.71 | 4.68 | -42.2 | 2 | 3 | 1 | 37 | 239.314 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.71 | 3.23 | -6.41 | 1 | 3 | 0 | 32 | 238.306 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.71 | 6.97 | -121 | 3 | 3 | 2 | 38 | 240.322 | 7 | ↓ |