In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2011 | 39 | 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) | 2.58 | 5.56 | -52.56 | 8 | 11 | 1 | 164 | 535.673 | 13 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 4.23 | -16.27 | 7 | 11 | 0 | 160 | 534.665 | 13 | ↓ |
Lo Low (pH 4.5-6) | 2.58 | 5.68 | -95.82 | 9 | 11 | 2 | 165 | 536.681 | 13 | ↓ |
No pre-computed analogs available. Try a structural similarity search.