In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | Yes |
Popular Name: (1R)-2-[[2-(dimethylamino)-2-methyl-propyl]amino]-1-(4-isopropylphenyl)ethanol (1R)-2-[[2-(dimethylamino)-2-met…
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) | 2.91 | 5.2 | -37.89 | 3 | 3 | 1 | 40 | 279.448 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 6.03 | -30.45 | 3 | 3 | 1 | 37 | 279.448 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.91 | 7.36 | -113.39 | 4 | 3 | 2 | 41 | 280.456 | 7 | ↓ |