| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 16 | Yes |
Popular Name: (2S)-N1-[(4-chloro-3-fluoro-phenyl)methyl]-N2,N2-dimethyl-propane-1,2-diamine (2S)-N1-[(4-chloro-3-fluoro-phen…
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| 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) | 2.63 | 7.7 | -127 | 3 | 2 | 2 | 21 | 246.757 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 4.4 | -3.16 | 1 | 2 | 0 | 15 | 244.741 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 5.74 | -45.48 | 2 | 2 | 1 | 20 | 245.749 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 6.35 | -37.67 | 2 | 2 | 1 | 16 | 245.749 | 5 | ↓ |
