In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2010 | 21 | Yes |
Popular Name: (2R)-2-(2-diethylaminoethylamino)-2-(1-methylindolin-5-yl)acetonitrile (2R)-2-(2-diethylaminoethylamino…
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) | 2.32 | 8.17 | -40.1 | 2 | 4 | 1 | 43 | 287.431 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.32 | 6.02 | -6.27 | 1 | 4 | 0 | 42 | 286.423 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.32 | 8.74 | -83.1 | 3 | 4 | 2 | 45 | 288.439 | 7 | ↓ |