In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 35 | 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) | 0.70 | 6.36 | -60.39 | 2 | 10 | 1 | 106 | 485.561 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.88 | 4.06 | -43.08 | 1 | 10 | 0 | 112 | 484.553 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.