| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 36 | 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) | -5.56 | -12.73 | -268.83 | 19 | 15 | 4 | 284 | 529.632 | 9 | ↓ |
| Hi High (pH 8-9.5) | -5.56 | -14.13 | -165.2 | 18 | 15 | 3 | 282 | 528.624 | 9 | ↓ |
| Hi High (pH 8-9.5) | -5.56 | -13.22 | -170.15 | 18 | 15 | 3 | 282 | 528.624 | 9 | ↓ |
| Mid Mid (pH 6-8) | -5.56 | -12.47 | -396.44 | 20 | 15 | 5 | 286 | 530.64 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
