In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 16 | Yes |
Popular Name: (2R)-1-[[(1R)-2-(diethylamino)-1-methyl-ethyl]amino]-3-(dimethylamino)propan-2-ol (2R)-1-[[(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) | 0.60 | 4.88 | -99.73 | 4 | 4 | 2 | 49 | 233.4 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.60 | 0.42 | -34.53 | 3 | 4 | 1 | 43 | 232.392 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.60 | 2.93 | -95.6 | 4 | 4 | 2 | 45 | 233.4 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.60 | 4.62 | -187.88 | 5 | 4 | 3 | 46 | 234.408 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.60 | 3.26 | -78.92 | 4 | 4 | 2 | 41 | 233.4 | 9 | ↓ |