In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 26 | Yes |
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) | 3.50 | 10.46 | -37.86 | 2 | 5 | 1 | 51 | 370.908 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.50 | 11.92 | -48.06 | 2 | 5 | 1 | 51 | 370.908 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 9.72 | -8.67 | 1 | 5 | 0 | 50 | 369.9 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.50 | 12.35 | -111.9 | 3 | 5 | 2 | 52 | 371.916 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.