In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 30 | 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) | 4.22 | 9.01 | -27.8 | 2 | 9 | 0 | 134 | 442.478 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.68 | 7.83 | -56.21 | 1 | 9 | -1 | 137 | 441.47 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.