In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 32 | No |
Popular Name: N-benzyl-2-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]oxazole-4-carboxamide N-benzyl-2-[[4-[(2-nitrophenyl)m…
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) | 2.30 | 7.67 | -49.5 | 2 | 9 | 1 | 109 | 436.492 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 7.06 | -45 | 2 | 9 | 1 | 109 | 436.492 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 5.41 | -13.49 | 1 | 9 | 0 | 107 | 435.484 | 8 | ↓ |