| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2011 | 48 | 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) | -4.86 | -3.48 | -193.8 | 6 | 23 | -3 | 356 | 711.628 | 13 | ↓ |
| Mid Mid (pH 6-8) | -4.86 | -4.37 | -141.55 | 7 | 23 | -2 | 353 | 712.636 | 13 | ↓ |
| Lo Low (pH 4.5-6) | -4.69 | -1.73 | -91.3 | 8 | 23 | -1 | 347 | 713.644 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.