In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | 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) | 2.48 | 7.64 | -40.23 | 2 | 2 | 1 | 16 | 237.392 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 5.63 | -3.3 | 1 | 2 | 0 | 15 | 236.384 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.