| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 21 | Yes |
Popular Name: (2S)-2-amino-N-[(1R)-2-(diethylamino)-1-methyl-ethyl]-3-(4-hydroxyphenyl)propanamide (2S)-2-amino-N-[(1R)-2-(diethyla…
| 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) | 0.72 | 3.14 | -106.83 | 6 | 5 | 2 | 81 | 295.427 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 0.48 | -8.83 | 4 | 5 | 0 | 79 | 293.411 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 1.91 | -56.8 | 5 | 5 | 1 | 88 | 294.419 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | 2.82 | -43.64 | 5 | 5 | 1 | 80 | 294.419 | 8 | ↓ |
