In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 24 | Yes |
Popular Name: N-[(2S)-2-(3-chlorophenyl)-2-morpholino-ethyl]pyridine-3-carboxamide N-[(2S)-2-(3-chlorophenyl)-2-mor…
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) | 2.01 | 4.79 | -10.03 | 1 | 5 | 0 | 54 | 345.83 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.01 | 6.71 | -45.22 | 2 | 5 | 1 | 56 | 346.838 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.