In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 15 | Yes |
Popular Name: (2R)-2-(2-dimethylaminoethylamino)-2-(2-thienyl)acetic (2R)-2-(2-dimethylaminoethylamin…
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) | 0.85 | 5.12 | -54.12 | 2 | 4 | 0 | 57 | 228.317 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.85 | 3.69 | -30.62 | 2 | 4 | 0 | 60 | 228.317 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.85 | 2.64 | -48.63 | 1 | 4 | -1 | 55 | 227.309 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.85 | 6.17 | -73.65 | 3 | 4 | 1 | 61 | 229.325 | 6 | ↓ |