In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 21 | Yes |
Popular Name: (2R)-2-[2-dimethylaminoethyl(propyl)amino]-1-(4-ethylphenyl)propan-1-one (2R)-2-[2-dimethylaminoethyl(pro…
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) | 3.64 | 9.26 | -34.44 | 1 | 3 | 1 | 25 | 291.459 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 8.81 | -34.56 | 1 | 3 | 1 | 25 | 291.459 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 6.79 | -6.97 | 0 | 3 | 0 | 24 | 290.451 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.64 | 11.29 | -103.52 | 2 | 3 | 2 | 26 | 292.467 | 9 | ↓ |