In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 23 | 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) | 4.98 | 11.24 | -46.48 | 0 | 2 | -1 | 40 | 313.461 | 1 | ↓ |
Lo Low (pH 4.5-6) | 4.98 | 9.23 | -3.64 | 1 | 2 | 0 | 37 | 314.469 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.