| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 16 | Yes |
Popular Name: (1S,2R)-1-(4-chlorophenyl)-N1-ethyl-N1-methyl-butane-1,2-diamine (1S,2R)-1-(4-chlorophenyl)-N1-et…
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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) | 2.72 | 7.26 | -120.96 | 4 | 2 | 2 | 32 | 242.794 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.72 | 4.32 | -42.52 | 3 | 2 | 1 | 31 | 241.786 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 6.82 | -32.76 | 3 | 2 | 1 | 30 | 241.786 | 5 | ↓ |
