In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2011 | 24 | 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) | 1.58 | 7.94 | -10.36 | 0 | 5 | 0 | 52 | 346.452 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.58 | 8.4 | -35.98 | 1 | 5 | 1 | 53 | 347.46 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.