| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2008 | 28 | 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) | -5.07 | -8.74 | -456.5 | 5 | 18 | -5 | 322 | 495.032 | 8 | ↓ |
| Mid Mid (pH 6-8) | -5.07 | -6.44 | -808.66 | 3 | 18 | -7 | 327 | 493.016 | 8 | ↓ |
| Mid Mid (pH 6-8) | -5.07 | -5.3 | -1028.67 | 2 | 18 | -8 | 330 | 492.008 | 8 | ↓ |
| Mid Mid (pH 6-8) | -5.07 | -6.44 | -853.99 | 3 | 18 | -7 | 327 | 493.016 | 8 | ↓ |
| Mid Mid (pH 6-8) | -5.07 | -6.44 | -800.5 | 3 | 18 | -7 | 327 | 493.016 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -5.07 | -9.88 | -299.56 | 6 | 18 | -4 | 319 | 496.04 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.