In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 35 | 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) | 0.21 | 9.16 | -52.45 | 2 | 8 | 1 | 94 | 470.553 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.21 | 9.94 | -35.61 | 1 | 8 | 0 | 97 | 469.545 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.43 | 12.14 | -74.66 | 3 | 8 | 2 | 92 | 471.561 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.