In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 20 | 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) | 2.63 | 4.04 | -116.29 | 0 | 6 | -2 | 101 | 355.169 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.63 | 3.96 | -47.01 | 1 | 6 | -1 | 99 | 356.177 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.