In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 27 | No |
Popular Name: N'-(5-cyano-2-isopropoxy-phenyl)-N-[2-[(2R)-2-methyl-1-piperidyl]ethyl]oxamide N'-(5-cyano-2-isopropoxy-phenyl)…
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) | 1.97 | 6.98 | -40.87 | 3 | 7 | 1 | 96 | 373.477 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.15 | 6.02 | -58.69 | 2 | 7 | 0 | 102 | 372.469 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.