| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2009 | 21 | Yes |
Popular Name: (1R)-1-(4-tert-butylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine (1R)-1-(4-tert-butylphenyl)-2-(4…
| 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) | 1.32 | 7.21 | -31.08 | 3 | 3 | 1 | 34 | 290.475 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 7.28 | -33.25 | 3 | 3 | 1 | 34 | 290.475 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 5.54 | -39.66 | 3 | 3 | 1 | 34 | 290.475 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 4.87 | -2.12 | 2 | 3 | 0 | 32 | 289.467 | 4 | ↓ |
