In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2012 | 53 | 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 |
---|---|---|---|---|---|---|---|---|---|---|
Lo Low (pH 4.5-6) | -5.13 | 3.52 | -318.78 | 19 | 15 | 4 | 325 | 749.995 | 24 | ↓ |
Lo Low (pH 4.5-6) | -5.13 | 3.33 | -456.85 | 20 | 15 | 5 | 327 | 751.003 | 24 | ↓ |
No pre-computed analogs available. Try a structural similarity search.