In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 22 | 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) | 0.81 | 7.87 | -36.57 | 2 | 6 | 1 | 68 | 300.386 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.81 | 7.4 | -12.33 | 1 | 6 | 0 | 67 | 299.378 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.