In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 16 | Yes |
Popular Name: (2R)-2-(5-bromo-2-thienyl)-2-(2-dimethylaminoethylamino)acetic (2R)-2-(5-bromo-2-thienyl)-2-(2-…
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) | 1.79 | 5.85 | -51.65 | 2 | 4 | 0 | 57 | 307.213 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.79 | 4.42 | -29.05 | 2 | 4 | 0 | 60 | 307.213 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.79 | 3.35 | -45.26 | 1 | 4 | -1 | 55 | 306.205 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.79 | 6.97 | -75.51 | 3 | 4 | 1 | 61 | 308.221 | 6 | ↓ |