In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 16 | No |
Popular Name: (E)-3-[1-[3-(dimethylamino)propyl]pyrrol-2-yl]prop-2-enoic (E)-3-[1-[3-(dimethylamino)propy…
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) | 1.25 | 7.88 | -73.68 | 1 | 4 | 0 | 49 | 222.288 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.25 | 5.36 | -54.46 | 0 | 4 | -1 | 48 | 221.28 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.25 | 6.79 | -43.87 | 2 | 4 | 1 | 47 | 223.296 | 6 | ↓ |