In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2005 | 32 | No |
Popular Name: C[C@@H](C(=O)OC)N[P@@](=O)(OC[C@@H]\1C/C1=C/n2cnc3c2ncnc3N)Oc4ccccc4 C[C@@H](C(=O)OC)N[P@@](=O)(OC[C@…
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) | 1.78 | -0.2 | -19.22 | 3 | 11 | 0 | 143 | 458.415 | 10 | ↓ |
Lo Low (pH 4.5-6) | 1.78 | -0.05 | -44.94 | 4 | 11 | 1 | 144 | 459.423 | 10 | ↓ |
Lo Low (pH 4.5-6) | 1.78 | -0.05 | -44.06 | 4 | 11 | 1 | 144 | 459.423 | 10 | ↓ |