| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 29 | 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) | 0.32 | 9.81 | -102.15 | 2 | 7 | 0 | 91 | 407.417 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.32 | 8.54 | -67.3 | 1 | 7 | -1 | 87 | 406.409 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.32 | 7.8 | -55.25 | 3 | 7 | 1 | 88 | 408.425 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -2.42 | 8.54 | -81.89 | 3 | 7 | 1 | 94 | 408.425 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
