| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 32 | No |
| 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) | 3.15 | 7.21 | -25.5 | 4 | 8 | 0 | 111 | 478.64 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.11 | 7.15 | -52.58 | 3 | 8 | -1 | 111 | 477.632 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 7.26 | -57.81 | 3 | 8 | -1 | 113 | 477.632 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.15 | 6.81 | -56.14 | 4 | 8 | 1 | 111 | 479.648 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.10 | 7.1 | -23.81 | 4 | 8 | 0 | 109 | 478.64 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
