In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 13 | 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) | 0.21 | 3.62 | -7.45 | 0 | 3 | 0 | 39 | 177.203 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.21 | 4.09 | -36.98 | 1 | 3 | 1 | 40 | 178.211 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.