In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 29 | Yes |
Popular Name: N-benzyl-2-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]oxazole-4-carboxamide N-benzyl-2-[[4-(4-pyridylmethyl)…
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) | 1.10 | 4.81 | -47.54 | 2 | 7 | 1 | 76 | 392.483 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.10 | 4.78 | -48 | 2 | 7 | 1 | 76 | 392.483 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.10 | 2.52 | -9.49 | 1 | 7 | 0 | 74 | 391.475 | 7 | ↓ |