In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2005 | 27 | No |
Popular Name: CCOC(=O)CCNC(=O)N[C@H]1CCN(C1=O)c2ccc(cc2)/C(=N/O)/N CCOC(=O)CCNC(=O)N[C@H]1CCN(C1=O)…
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) | -0.57 | 2.05 | -30.67 | 5 | 10 | 0 | 146 | 377.401 | 8 | ↓ |
Lo Low (pH 4.5-6) | -0.57 | 1.79 | -53.67 | 6 | 10 | 1 | 148 | 378.409 | 8 | ↓ |
Lo Low (pH 4.5-6) | -0.57 | 1.88 | -52.71 | 6 | 10 | 1 | 148 | 378.409 | 8 | ↓ |