In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 12 | 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) | -3.48 | -8.26 | -92.22 | 1 | 8 | -2 | 139 | 191.124 | 1 | ↓ |
Lo Low (pH 4.5-6) | -3.93 | -6.76 | -37.74 | 2 | 8 | -1 | 136 | 192.132 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.