In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 23 | Yes |
Popular Name: 4-[[[(2S)-2-(dimethylamino)-2-(p-tolyl)ethyl]amino]methyl]-2-methoxy-phenol 4-[[[(2S)-2-(dimethylamino)-2-(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) | 2.90 | 7.03 | -40.33 | 3 | 4 | 1 | 46 | 315.437 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.90 | 4.82 | -6.25 | 2 | 4 | 0 | 45 | 314.429 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.90 | 6.14 | -48.55 | 3 | 4 | 1 | 49 | 315.437 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.90 | 8.34 | -130.46 | 4 | 4 | 2 | 51 | 316.445 | 7 | ↓ |