| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-N1-butyl-1-(4-chlorophenyl)-N1-cyclopropyl-propane-1,2-diamine (1S,2R)-N1-butyl-1-(4-chlorophen…
| 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) | 3.61 | 8.5 | -116.24 | 4 | 2 | 2 | 32 | 282.859 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 8.19 | -32.79 | 3 | 2 | 1 | 30 | 281.851 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 6.19 | -45.07 | 3 | 2 | 1 | 31 | 281.851 | 7 | ↓ |
