In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 30 | Yes |
Popular Name: N-benzyl-N-methyl-2-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]oxazole-4-carboxamide N-benzyl-N-methyl-2-[[4-(4-pyrid…
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) | 1.35 | 7.78 | -49.75 | 1 | 7 | 1 | 67 | 406.51 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.35 | 7.75 | -50.02 | 1 | 7 | 1 | 67 | 406.51 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.35 | 5.5 | -10.61 | 0 | 7 | 0 | 66 | 405.502 | 7 | ↓ |