In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 13th, 2008 | 33 | 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) | 1.53 | 6.54 | -77.73 | 1 | 13 | -1 | 191 | 479.447 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.99 | 4.33 | -139.95 | 0 | 13 | -2 | 195 | 478.439 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.