In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 20 | No |
Popular Name: N-[(2-chloro-5-nitro-phenyl)methyl]-2-morpholino-ethanamine N-[(2-chloro-5-nitro-phenyl)meth…
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) | 1.94 | 4.92 | -49.58 | 2 | 6 | 1 | 75 | 300.766 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.94 | 3.54 | -6.06 | 1 | 6 | 0 | 70 | 299.758 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.94 | 5.79 | -41.57 | 2 | 6 | 1 | 72 | 300.766 | 6 | ↓ |