| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-N1-[(4-fluorophenyl)methyl]-N1-methyl-1-(3-methyl-2-thienyl)propane-1,2-diamine (1S,2S)-N1-[(4-fluorophenyl)meth…
| 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) | 2.97 | 8.53 | -126.7 | 4 | 2 | 2 | 32 | 294.439 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.97 | 6.22 | -4.11 | 2 | 2 | 0 | 29 | 292.423 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | 6.57 | -43.81 | 3 | 2 | 1 | 31 | 293.431 | 5 | ↓ |
