| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-1-(4-chlorophenyl)-N1-methyl-N1-(4-pyridylmethyl)butane-1,2-diamine (1S,2S)-1-(4-chlorophenyl)-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) | 2.45 | 8.12 | -131.94 | 4 | 3 | 2 | 45 | 305.853 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 5.9 | -55.95 | 3 | 3 | 1 | 44 | 304.845 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 7.81 | -44.17 | 3 | 3 | 1 | 43 | 304.845 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.45 | 6.36 | -104.71 | 4 | 3 | 2 | 45 | 305.853 | 6 | ↓ |
