| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 16 | Yes |
Popular Name: (1S,2R)-N-isopropyl-N-methyl-1-phenyl-butane-1,2-diamine (1S,2R)-N-isopropyl-N-methyl-1-p…
| 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) | 1.00 | 6.65 | -111.66 | 4 | 2 | 2 | 32 | 222.376 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 3.74 | -1.61 | 2 | 2 | 0 | 29 | 220.36 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 6.37 | -28.26 | 3 | 2 | 1 | 30 | 221.368 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 4.64 | -46.7 | 3 | 2 | 1 | 31 | 221.368 | 5 | ↓ |
