In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 21 | Yes |
Popular Name: (2R)-2-[2-dimethylaminoethyl(isobutyl)amino]-1-(p-tolyl)propan-1-one (2R)-2-[2-dimethylaminoethyl(iso…
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) | 3.42 | 8.85 | -33.33 | 1 | 3 | 1 | 25 | 291.459 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.42 | 7.3 | -5.85 | 0 | 3 | 0 | 24 | 290.451 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.42 | 9.9 | -40.11 | 1 | 3 | 1 | 25 | 291.459 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.42 | 11.31 | -103.33 | 2 | 3 | 2 | 26 | 292.467 | 8 | ↓ |