In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2004 | 41 | 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) | 1.56 | 7.81 | -19.46 | 1 | 12 | 0 | 130 | 558.595 | 11 | ↓ |
Lo Low (pH 4.5-6) | 1.56 | 9.73 | -60.31 | 2 | 12 | 1 | 131 | 559.603 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.