In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2010 | 27 | 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) | 2.66 | 8.44 | -11.97 | 0 | 6 | 0 | 61 | 365.481 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.66 | 8.9 | -43.57 | 1 | 6 | 1 | 62 | 366.489 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.