| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | 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) | 1.67 | 8.32 | -34.27 | 3 | 2 | 1 | 30 | 273.444 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.67 | 6.12 | -1.62 | 2 | 2 | 0 | 29 | 272.436 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.67 | 8.58 | -127.99 | 4 | 2 | 2 | 32 | 274.452 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
