In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 30 | Yes |
Popular Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-pyridylmethyl)oxazole-4-carboxamide 2-[[4-(2,3-dimethylphenyl)pipera…
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) | 2.20 | 5.37 | -9.13 | 1 | 7 | 0 | 74 | 405.502 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 7.65 | -48.41 | 2 | 7 | 1 | 76 | 406.51 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 5.33 | -38.68 | 2 | 7 | 1 | 76 | 406.51 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.20 | 8.11 | -94.62 | 3 | 7 | 2 | 77 | 407.518 | 6 | ↓ |