In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 4th, 2011 | 25 | 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) | 2.39 | 5.37 | -23.63 | 1 | 5 | 0 | 72 | 367.352 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.57 | 3.55 | -36.87 | 0 | 5 | -1 | 78 | 366.344 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.