In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 24 | 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) | 1.96 | 8.07 | -35.69 | 3 | 6 | 1 | 76 | 334.44 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.96 | 5.93 | -11.07 | 2 | 6 | 0 | 75 | 333.432 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.