In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 21 | Yes |
Popular Name: (2S)-2-[4-chloro-2-(methylaminomethyl)phenoxy]-1-morpholino-propan-1-one (2S)-2-[4-chloro-2-(methylaminom…
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) | 1.72 | 5.71 | -39.56 | 2 | 5 | 1 | 55 | 313.805 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.72 | 4.26 | -11.15 | 1 | 5 | 0 | 51 | 312.797 | 5 | ↓ |