| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-1-(4-fluorophenyl)-N1-methyl-N1-(2-thienylmethyl)butane-1,2-diamine (1S,2S)-1-(4-fluorophenyl)-N1-me…
| 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) | 3.13 | 8.58 | -126.45 | 4 | 2 | 2 | 32 | 294.439 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 7.12 | -48.11 | 3 | 2 | 1 | 31 | 293.431 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 8.27 | -39.29 | 3 | 2 | 1 | 30 | 293.431 | 6 | ↓ |
