In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 23 | 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) | 1.63 | 7.86 | -63.19 | 2 | 6 | 1 | 66 | 335.815 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.63 | 6.71 | -11.68 | 1 | 6 | 0 | 61 | 334.807 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.