In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 19 | Yes |
Popular Name: (1S)-2-[[(1R)-2-(diethylamino)-1-methyl-ethyl]amino]-1-(2-fluorophenyl)ethanol (1S)-2-[[(1R)-2-(diethylamino)-1…
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) | 2.14 | 4.4 | -34.54 | 3 | 3 | 1 | 40 | 269.384 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.14 | 6.43 | -33.07 | 3 | 3 | 1 | 37 | 269.384 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.14 | 6.2 | -112.65 | 4 | 3 | 2 | 41 | 270.392 | 8 | ↓ |