| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2012 | 14 | 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) | 1.86 | 5.17 | -6.15 | 1 | 7 | 0 | 101 | 311.035 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 5.14 | -4.49 | 1 | 7 | 0 | 101 | 311.035 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 5.02 | -28.94 | 0 | 7 | -1 | 99 | 310.027 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 4.99 | -28.95 | 0 | 7 | -1 | 99 | 310.027 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.