In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 20 | Yes |
Popular Name: (2S)-1-[[(1S)-2-(diethylamino)-1-methyl-ethyl]amino]-3-[(1S)-1,3-dimethylbutoxy]propan-2-ol (2S)-1-[[(1S)-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) | 2.57 | 4.34 | -35.8 | 3 | 4 | 1 | 49 | 289.484 | 12 | ↓ |
Mid Mid (pH 6-8) | 2.57 | 5.12 | -34.07 | 3 | 4 | 1 | 46 | 289.484 | 12 | ↓ |
Lo Low (pH 4.5-6) | 2.57 | 6.43 | -110.75 | 4 | 4 | 2 | 51 | 290.492 | 12 | ↓ |