In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 40 | 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) | 1.47 | 12.72 | -83.66 | 1 | 11 | -1 | 151 | 585.636 | 11 | ↓ |
Hi High (pH 8-9.5) | 1.50 | 12.08 | -143.68 | 1 | 11 | -2 | 157 | 584.628 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.