In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2011 | 15 | 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) | 2.38 | 5.33 | -35.31 | 2 | 2 | 1 | 20 | 205.325 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.38 | 4.12 | -1.7 | 1 | 2 | 0 | 15 | 204.317 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.