In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2013 | 11 | 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) | -0.18 | -1.73 | -44.23 | 0 | 5 | -1 | 74 | 155.133 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.18 | -2.64 | -8.25 | 1 | 5 | 0 | 71 | 156.141 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.