In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 21 | Yes |
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) | 1.19 | 3.4 | -39.71 | 4 | 5 | 1 | 72 | 296.435 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.19 | 1.8 | -5.9 | 3 | 5 | 0 | 68 | 295.427 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.19 | 4.87 | -115.58 | 5 | 5 | 2 | 73 | 297.443 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.19 | 4 | -36.59 | 4 | 5 | 1 | 69 | 296.435 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.